N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine

C19H23N — CID 81375684

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCc1ccccc1[C@H](C)NC1CC(c2ccccc2)C1
InChIInChI=1S/C19H23N/c1-14-8-6-7-11-19(14)15(2)20-18-12-17(13-18)16-9-4-3-5-10-16/h3-11,15,17-18,20H,12-13H2,1-2H3/t15-,17?,18?/m0/s1
InChIKeyNVXVYLVPZJCYMG-ZLPCBKJTSA-N
MW265.40 g/mol
LogP4.59
Rot. Bonds4

About N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine

N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine (PubChem CID 81375684) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
PubChem CID81375684
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCc1ccccc1[C@H](C)NC1CC(c2ccccc2)C1
InChIInChI=1S/C19H23N/c1-14-8-6-7-11-19(14)15(2)20-18-12-17(13-18)16-9-4-3-5-10-16/h3-11,15,17-18,20H,12-13H2,1-2H3/t15-,17?,18?/m0/s1
InChIKeyNVXVYLVPZJCYMG-ZLPCBKJTSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81363104
3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81355085
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 63453740
N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43680086
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine (CID 81375684) is N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine is Cc1ccccc1[C@H](C)NC1CC(c2ccccc2)C1.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is NVXVYLVPZJCYMG-ZLPCBKJTSA-N. The full InChI is InChI=1S/C19H23N/c1-14-8-6-7-11-19(14)15(2)20-18-12-17(13-18)16-9-4-3-5-10-16/h3-11,15,17-18,20H,12-13H2,1-2H3/t15-,17?,18?/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine?
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.59, 4 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]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 81375684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).