(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine

C20H21N3 — CID 11231963

IUPAC(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](N[C@@H](C)c1cccc(-c2ccccc2)n1)c1ccccn1
InChIInChI=1S/C20H21N3/c1-15(18-11-6-7-14-21-18)22-16(2)19-12-8-13-20(23-19)17-9-4-3-5-10-17/h3-16,22H,1-2H3/t15-,16-/m0/s1
InChIKeyWODBMEWIKRQHED-HOTGVXAUSA-N
MW303.41 g/mol
LogP4.56
Rot. Bonds5

About (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine

(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 11231963) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine
PubChem CID11231963
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](N[C@@H](C)c1cccc(-c2ccccc2)n1)c1ccccn1
InChIInChI=1S/C20H21N3/c1-15(18-11-6-7-14-21-18)22-16(2)19-12-8-13-20(23-19)17-9-4-3-5-10-17/h3-16,22H,1-2H3/t15-,16-/m0/s1
InChIKeyWODBMEWIKRQHED-HOTGVXAUSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 10754955
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine (CID 11231963) is (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine is C[C@H](N[C@@H](C)c1cccc(-c2ccccc2)n1)c1ccccn1.
What is the InChIKey of (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is WODBMEWIKRQHED-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H21N3/c1-15(18-11-6-7-14-21-18)22-16(2)19-12-8-13-20(23-19)17-9-4-3-5-10-17/h3-16,22H,1-2H3/t15-,16-/m0/s1.
What are the key properties of (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 303.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 11231963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).