4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine

C23H33N3O2 — CID 137459508

IUPAC4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine
SMILESCc1cc(-c2ccnc(NC3CCOC3)c2)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C23H33N3O2/c1-16(2)13-23(4,24)15-28-21-6-5-18(11-17(21)3)19-7-9-25-22(12-19)26-20-8-10-27-14-20/h5-7,9,11-12,16,20H,8,10,13-15,24H2,1-4H3,(H,25,26)/t20?,23-/m0/s1
InChIKeyNCCLZZQCKKSLKJ-AKRCKQFNSA-N
MW383.54 g/mol
LogP4.40
Rot. Bonds8

About 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine

4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 137459508) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID137459508
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine
SMILESCc1cc(-c2ccnc(NC3CCOC3)c2)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C23H33N3O2/c1-16(2)13-23(4,24)15-28-21-6-5-18(11-17(21)3)19-7-9-25-22(12-19)26-20-8-10-27-14-20/h5-7,9,11-12,16,20H,8,10,13-15,24H2,1-4H3,(H,25,26)/t20?,23-/m0/s1
InChIKeyNCCLZZQCKKSLKJ-AKRCKQFNSA-N
XLogP4.40
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-N-(oxolan-3-yl)pyrimidin-4-amine
CID 135284629
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069
2-(2-amino-2,4-dimethylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile
CID 135284472
[2,4-dimethyl-1-[4-[2-(oxan-3-ylamino)-4-pyridinyl]-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamic acid
CID 135284804
[(2S)-2,4-dimethyl-1-[4-[2-(oxan-3-ylamino)-4-pyridinyl]-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamic acid
CID 137459450
tert-butyl-[(2S)-2,4-dimethyl-1-[4-[2-(oxan-3-ylamino)-4-pyridinyl]-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamic acid
CID 137459529
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]cyclobutanecarboxamide
CID 137459458
(2S)-2,4-dimethyl-1-[2-methyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentan-2-amine
CID 135390625
6-[4-(4-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-N-(oxolan-3-yl)pyrimidin-4-amine
CID 146255310
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 135284503

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine (CID 137459508) is 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine is Cc1cc(-c2ccnc(NC3CCOC3)c2)ccc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is NCCLZZQCKKSLKJ-AKRCKQFNSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16(2)13-23(4,24)15-28-21-6-5-18(11-17(21)3)19-7-9-25-22(12-19)26-20-8-10-27-14-20/h5-7,9,11-12,16,20H,8,10,13-15,24H2,1-4H3,(H,25,26)/t20?,23-/m0/s1.
What are the key properties of 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine?
4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 383.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 137459508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).