(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine

C20H23N — CID 116506095

IUPAC(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H23N/c21-19(20(13-14-20)18-7-2-1-3-8-18)17-11-9-16(10-12-17)15-5-4-6-15/h1-3,7-12,15,19H,4-6,13-14,21H2
InChIKeyKPWDPVYJWZUXCP-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.69
Rot. Bonds4

About (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine

(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine (PubChem CID 116506095) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine
PubChem CID116506095
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H23N/c21-19(20(13-14-20)18-7-2-1-3-8-18)17-11-9-16(10-12-17)15-5-4-6-15/h1-3,7-12,15,19H,4-6,13-14,21H2
InChIKeyKPWDPVYJWZUXCP-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
CID 83045638
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
CID 105044925
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine (CID 116506095) is (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine is NC(c1ccc(C2CCC2)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine?
The InChIKey is KPWDPVYJWZUXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c21-19(20(13-14-20)18-7-2-1-3-8-18)17-11-9-16(10-12-17)15-5-4-6-15/h1-3,7-12,15,19H,4-6,13-14,21H2.
What are the key properties of (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine?
(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116506095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).