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'}

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Related Compounds

N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62708377
N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 55134746
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 55138904
N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708367
N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708366
N-[(2-benzylcyclopropyl)methyl]propan-1-amine
CID 62708370
1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine
CID 172863995
[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
CID 46702611
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63521463
N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine
CID 113404796
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
CID 65014519
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007

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).