N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine

C18H23N — CID 81375017

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
SMILESCc1ccccc1[C@H](C)NC(C)Cc1ccccc1
InChIInChI=1S/C18H23N/c1-14-9-7-8-12-18(14)16(3)19-15(2)13-17-10-5-4-6-11-17/h4-12,15-16,19H,13H2,1-3H3/t15?,16-/m0/s1
InChIKeyMQUGGUNKQKPTTG-LYKKTTPLSA-N
MW253.39 g/mol
LogP4.28
Rot. Bonds5

About N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine

N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine (PubChem CID 81375017) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
PubChem CID81375017
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
SMILESCc1ccccc1[C@H](C)NC(C)Cc1ccccc1
InChIInChI=1S/C18H23N/c1-14-9-7-8-12-18(14)16(3)19-15(2)13-17-10-5-4-6-11-17/h4-12,15-16,19H,13H2,1-3H3/t15?,16-/m0/s1
InChIKeyMQUGGUNKQKPTTG-LYKKTTPLSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
CID 28511998
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
CID 55150852
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine (CID 81375017) is N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine is Cc1ccccc1[C@H](C)NC(C)Cc1ccccc1.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine?
The InChIKey is MQUGGUNKQKPTTG-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H23N/c1-14-9-7-8-12-18(14)16(3)19-15(2)13-17-10-5-4-6-11-17/h4-12,15-16,19H,13H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine?
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 81375017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).