1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine

C18H24N2O — CID 43202622

IUPAC1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NC(C)c2ccccn2)cc1
InChIInChI=1S/C18H24N2O/c1-13(2)21-17-10-8-16(9-11-17)14(3)20-15(4)18-7-5-6-12-19-18/h5-15,20H,1-4H3
InChIKeyPBZZAMJHVOGOLI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.28
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine

1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine (PubChem CID 43202622) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
PubChem CID43202622
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NC(C)c2ccccn2)cc1
InChIInChI=1S/C18H24N2O/c1-13(2)21-17-10-8-16(9-11-17)14(3)20-15(4)18-7-5-6-12-19-18/h5-15,20H,1-4H3
InChIKeyPBZZAMJHVOGOLI-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81393551
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine (CID 43202622) is 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine is CC(C)Oc1ccc(C(C)NC(C)c2ccccn2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The InChIKey is PBZZAMJHVOGOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)21-17-10-8-16(9-11-17)14(3)20-15(4)18-7-5-6-12-19-18/h5-15,20H,1-4H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 43202622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).