N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine

C20H25N — CID 62707852

IUPACN-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N/c1-2-13-21-16-19-15-20(19,18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-12,19,21H,2,13-16H2,1H3
InChIKeyVQESQLYYWAFKQS-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.19
Rot. Bonds7

About N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine

N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 62707852) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID62707852
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N/c1-2-13-21-16-19-15-20(19,18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-12,19,21H,2,13-16H2,1H3
InChIKeyVQESQLYYWAFKQS-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-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

Nortriptyline
CID 4543
Protriptyline
CID 4976
Nortriptyline Hydrochloride
CID 441358
Protriptyline Hydrochloride
CID 6603149
Terodiline
CID 23480
Prenylamine
CID 9801
Bicifadine
CID 47953
4-Benzylpiperidine
CID 31738
Terodiline Hydrochloride
CID 23479
Phenpromethamine
CID 22276
Diisopromine
CID 22262
4-Benzhydrylpiperidine
CID 88278

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine (CID 62707852) is N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine is CCCNCC1CC1(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is VQESQLYYWAFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-13-21-16-19-15-20(19,18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-12,19,21H,2,13-16H2,1H3.
What are the key properties of N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 62707852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).