N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine

C15H23N — CID 115676382

IUPACN-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC1CC1C
InChIInChI=1S/C15H23N/c1-12-10-15(12)11-16-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyKHBDWEZNKNSJNN-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.25
Rot. Bonds6

About N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine

N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine (PubChem CID 115676382) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
PubChem CID115676382
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC1CC1C
InChIInChI=1S/C15H23N/c1-12-10-15(12)11-16-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyKHBDWEZNKNSJNN-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine
CID 115713020
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
2-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-one
CID 110176147
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
CID 43107601
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
4-phenylbutan-2-ylhydrazine
CID 28622
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine (CID 115676382) is N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCC1CC1C.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is KHBDWEZNKNSJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-10-15(12)11-16-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine?
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 115676382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).