1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine

C21H27N — CID 143883026

IUPAC1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
SMILESNC1(c2ccccc2)CCCC(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N/c22-21(20-11-5-2-6-12-20)16-7-10-19(15-17-21)14-13-18-8-3-1-4-9-18/h1-6,8-9,11-12,19H,7,10,13-17,22H2
InChIKeyPVPQMPBKVLNIAL-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.05
Rot. Bonds4

About 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine

1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine (PubChem CID 143883026) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
PubChem CID143883026
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
SMILESNC1(c2ccccc2)CCCC(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N/c22-21(20-11-5-2-6-12-20)16-7-10-19(15-17-21)14-13-18-8-3-1-4-9-18/h1-6,8-9,11-12,19H,7,10,13-17,22H2
InChIKeyPVPQMPBKVLNIAL-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine?
The IUPAC name of 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine (CID 143883026) is 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine?
The canonical SMILES for 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine is NC1(c2ccccc2)CCCC(CCc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine?
The InChIKey is PVPQMPBKVLNIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c22-21(20-11-5-2-6-12-20)16-7-10-19(15-17-21)14-13-18-8-3-1-4-9-18/h1-6,8-9,11-12,19H,7,10,13-17,22H2.
What are the key properties of 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine?
1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine is sourced from PubChem (CID 143883026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).