N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine

C19H33NO — CID 43788172

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-15(20-19(5,6)14-18(2,3)4)8-9-16-10-12-17(21-7)13-11-16/h10-13,15,20H,8-9,14H2,1-7H3
InChIKeyAWKVRTYNCAAGGA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.82
Rot. Bonds7

About N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine

N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine (PubChem CID 43788172) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine
PubChem CID43788172
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-15(20-19(5,6)14-18(2,3)4)8-9-16-10-12-17(21-7)13-11-16/h10-13,15,20H,8-9,14H2,1-7H3
InChIKeyAWKVRTYNCAAGGA-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43731289
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
1-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylbutan-2-ol
CID 65108512
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
N-[4-(4-methoxyphenyl)butan-2-yl]-2,5-dimethylpyrrol-1-amine
CID 79090719
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine (CID 43788172) is N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine is COc1ccc(CCC(C)NC(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is AWKVRTYNCAAGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15(20-19(5,6)14-18(2,3)4)8-9-16-10-12-17(21-7)13-11-16/h10-13,15,20H,8-9,14H2,1-7H3.
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine?
N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43788172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).