N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine

C20H23N — CID 79329058

IUPACN-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(-c2ccccc2)cc1)CNC1CC1
InChIInChI=1S/C20H23N/c1-2-16(15-21-20-12-13-20)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,14,20-21H,2,12-13,15H2,1H3
InChIKeyDZOXSAIPUVSXPX-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.90
Rot. Bonds6

About N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine

N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79329058) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
PubChem CID79329058
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(-c2ccccc2)cc1)CNC1CC1
InChIInChI=1S/C20H23N/c1-2-16(15-21-20-12-13-20)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,14,20-21H,2,12-13,15H2,1H3
InChIKeyDZOXSAIPUVSXPX-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine (CID 79329058) is N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine is CCC(=Cc1ccc(-c2ccccc2)cc1)CNC1CC1.
What is the InChIKey of N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is DZOXSAIPUVSXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-2-16(15-21-20-12-13-20)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,14,20-21H,2,12-13,15H2,1H3.
What are the key properties of N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine?
N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79329058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).