2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine

C17H22N2 — CID 81402344

IUPAC2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCC(C)C(N[C@@H](C)c1ccccn1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-13(2)17(15-9-5-4-6-10-15)19-14(3)16-11-7-8-12-18-16/h4-14,17,19H,1-3H3/t14-,17?/m0/s1
InChIKeyUORFLKHWHUSXLL-MBIQTGHCSA-N
MW254.38 g/mol
LogP4.13
Rot. Bonds5

About 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine

2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine (PubChem CID 81402344) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
PubChem CID81402344
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCC(C)C(N[C@@H](C)c1ccccn1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-13(2)17(15-9-5-4-6-10-15)19-14(3)16-11-7-8-12-18-16/h4-14,17,19H,1-3H3/t14-,17?/m0/s1
InChIKeyUORFLKHWHUSXLL-MBIQTGHCSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
CID 97322649
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine (CID 81402344) is 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine is CC(C)C(N[C@@H](C)c1ccccn1)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is UORFLKHWHUSXLL-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)17(15-9-5-4-6-10-15)19-14(3)16-11-7-8-12-18-16/h4-14,17,19H,1-3H3/t14-,17?/m0/s1.
What are the key properties of 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 81402344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).