(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine

C16H20N2 — CID 81406474

IUPAC(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCCc1ccccc1CN[C@H](C)c1cccnc1
InChIInChI=1S/C16H20N2/c1-3-14-7-4-5-8-16(14)12-18-13(2)15-9-6-10-17-11-15/h4-11,13,18H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyLDICSABNDBXFTN-CYBMUJFWSA-N
MW240.35 g/mol
LogP3.49
Rot. Bonds5

About (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine

(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 81406474) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID81406474
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCCc1ccccc1CN[C@H](C)c1cccnc1
InChIInChI=1S/C16H20N2/c1-3-14-7-4-5-8-16(14)12-18-13(2)15-9-6-10-17-11-15/h4-11,13,18H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyLDICSABNDBXFTN-CYBMUJFWSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1R)-N-(1-benzofuran-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404411
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
2-[2-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenoxy]acetonitrile
CID 81407639
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine (CID 81406474) is (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine is CCc1ccccc1CN[C@H](C)c1cccnc1.
What is the InChIKey of (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is LDICSABNDBXFTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-14-7-4-5-8-16(14)12-18-13(2)15-9-6-10-17-11-15/h4-11,13,18H,3,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine?
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81406474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).