2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine

C17H27N — CID 82244196

IUPAC2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
SMILESCc1ccc(C2CCCCCC2C(C)CN)cc1
InChIInChI=1S/C17H27N/c1-13-8-10-15(11-9-13)17-7-5-3-4-6-16(17)14(2)12-18/h8-11,14,16-17H,3-7,12,18H2,1-2H3
InChIKeyRDACVJGEIFGWPO-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.25
Rot. Bonds3

About 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine

2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine (PubChem CID 82244196) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
PubChem CID82244196
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
SMILESCc1ccc(C2CCCCCC2C(C)CN)cc1
InChIInChI=1S/C17H27N/c1-13-8-10-15(11-9-13)17-7-5-3-4-6-16(17)14(2)12-18/h8-11,14,16-17H,3-7,12,18H2,1-2H3
InChIKeyRDACVJGEIFGWPO-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylcycloheptyl)propan-1-amine
CID 82242886
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 82244560
2-(2-thiophen-2-ylcycloheptyl)propan-1-amine
CID 82243482
2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
CID 82242346
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915
3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
[3-(4-methylphenyl)thian-4-yl]methanamine
CID 84788263
2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine
CID 55016794
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 45358024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine?
The IUPAC name of 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine (CID 82244196) is 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine.
What is the SMILES notation for 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine?
The canonical SMILES for 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine is Cc1ccc(C2CCCCCC2C(C)CN)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine?
The InChIKey is RDACVJGEIFGWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-8-10-15(11-9-13)17-7-5-3-4-6-16(17)14(2)12-18/h8-11,14,16-17H,3-7,12,18H2,1-2H3.
What are the key properties of 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine?
2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine is sourced from PubChem (CID 82244196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).