[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine

C20H25N — CID 116544293

IUPAC[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N/c1-15(2)13-16-7-6-8-17(14-16)19(21)20(11-12-20)18-9-4-3-5-10-18/h3-10,14-15,19H,11-13,21H2,1-2H3
InChIKeyLFUCIYGPXAQKBZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.62
Rot. Bonds5

About [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine

[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine (PubChem CID 116544293) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
PubChem CID116544293
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N/c1-15(2)13-16-7-6-8-17(14-16)19(21)20(11-12-20)18-9-4-3-5-10-18/h3-10,14-15,19H,11-13,21H2,1-2H3
InChIKeyLFUCIYGPXAQKBZ-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544912
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
2-[3-(2-methylpropyl)phenyl]-1,3-dihydroinden-2-amine
CID 116542927
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine (CID 116544293) is [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine is CC(C)Cc1cccc(C(N)C2(c3ccccc3)CC2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine?
The InChIKey is LFUCIYGPXAQKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15(2)13-16-7-6-8-17(14-16)19(21)20(11-12-20)18-9-4-3-5-10-18/h3-10,14-15,19H,11-13,21H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine?
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116544293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).