1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C19H26N2 — CID 81392625

IUPAC1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)N[C@@H](C)c2ccccn2)cc1
InChIInChI=1S/C19H26N2/c1-14(2)13-17-8-10-18(11-9-17)15(3)21-16(4)19-7-5-6-12-20-19/h5-12,14-16,21H,13H2,1-4H3/t15?,16-/m0/s1
InChIKeyAUXPHKDDRWZOIY-LYKKTTPLSA-N
MW282.43 g/mol
LogP4.69
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 81392625) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID81392625
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)N[C@@H](C)c2ccccn2)cc1
InChIInChI=1S/C19H26N2/c1-14(2)13-17-8-10-18(11-9-17)15(3)21-16(4)19-7-5-6-12-20-19/h5-12,14-16,21H,13H2,1-4H3/t15?,16-/m0/s1
InChIKeyAUXPHKDDRWZOIY-LYKKTTPLSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81393551
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
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
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 81392625) is 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is CC(C)Cc1ccc(C(C)N[C@@H](C)c2ccccn2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is AUXPHKDDRWZOIY-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(2)13-17-8-10-18(11-9-17)15(3)21-16(4)19-7-5-6-12-20-19/h5-12,14-16,21H,13H2,1-4H3/t15?,16-/m0/s1.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 81392625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).