3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine

C18H21N — CID 116538694

IUPAC3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine
SMILESCC1(c2ccc(-c3ccccc3)cc2)CCC(N)C1
InChIInChI=1S/C18H21N/c1-18(12-11-17(19)13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13,19H2,1H3
InChIKeyROKRZTPANZXGHZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.12
Rot. Bonds2

About 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine

3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine (PubChem CID 116538694) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine
PubChem CID116538694
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine
SMILESCC1(c2ccc(-c3ccccc3)cc2)CCC(N)C1
InChIInChI=1S/C18H21N/c1-18(12-11-17(19)13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13,19H2,1H3
InChIKeyROKRZTPANZXGHZ-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine (CID 116538694) is 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine is CC1(c2ccc(-c3ccccc3)cc2)CCC(N)C1.
What is the InChIKey of 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine?
The InChIKey is ROKRZTPANZXGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-18(12-11-17(19)13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13,19H2,1H3.
What are the key properties of 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine?
3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 116538694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).