N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine

C17H22N2O — CID 43181726

IUPACN-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCCCOc1ccc(CNC(C)c2cccnc2)cc1
InChIInChI=1S/C17H22N2O/c1-3-11-20-17-8-6-15(7-9-17)12-19-14(2)16-5-4-10-18-13-16/h4-10,13-14,19H,3,11-12H2,1-2H3
InChIKeyPYBCDDJWOBEMQM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds7

About N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine

N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 43181726) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID43181726
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCCCOc1ccc(CNC(C)c2cccnc2)cc1
InChIInChI=1S/C17H22N2O/c1-3-11-20-17-8-6-15(7-9-17)12-19-14(2)16-5-4-10-18-13-16/h4-10,13-14,19H,3,11-12H2,1-2H3
InChIKeyPYBCDDJWOBEMQM-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 43181668

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine (CID 43181726) is N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine is CCCOc1ccc(CNC(C)c2cccnc2)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is PYBCDDJWOBEMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-11-20-17-8-6-15(7-9-17)12-19-14(2)16-5-4-10-18-13-16/h4-10,13-14,19H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine?
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 43181726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).