(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine

C16H20N2O — CID 79032772

IUPAC(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
SMILESCOCc1ccc(CN[C@@H](C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-13(16-4-3-9-17-11-16)18-10-14-5-7-15(8-6-14)12-19-2/h3-9,11,13,18H,10,12H2,1-2H3/t13-/m0/s1
InChIKeyBFCWXBWILJUDAO-ZDUSSCGKSA-N
MW256.35 g/mol
LogP3.08
Rot. Bonds6

About (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine

(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine (PubChem CID 79032772) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
PubChem CID79032772
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
SMILESCOCc1ccc(CN[C@@H](C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-13(16-4-3-9-17-11-16)18-10-14-5-7-15(8-6-14)12-19-2/h3-9,11,13,18H,10,12H2,1-2H3/t13-/m0/s1
InChIKeyBFCWXBWILJUDAO-ZDUSSCGKSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.08
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
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
2-methoxy-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787757

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine (CID 79032772) is (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine is COCc1ccc(CN[C@@H](C)c2cccnc2)cc1.
What is the InChIKey of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
The InChIKey is BFCWXBWILJUDAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(16-4-3-9-17-11-16)18-10-14-5-7-15(8-6-14)12-19-2/h3-9,11,13,18H,10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 79032772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).