2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine

C17H27N — CID 81028338

IUPAC2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccccc1C1CCCC1CNC(C)(C)C
InChIInChI=1S/C17H27N/c1-13-8-5-6-10-15(13)16-11-7-9-14(16)12-18-17(2,3)4/h5-6,8,10,14,16,18H,7,9,11-12H2,1-4H3
InChIKeyIPUMAFSZBYCBSV-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.27
Rot. Bonds3

About 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81028338) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81028338
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccccc1C1CCCC1CNC(C)(C)C
InChIInChI=1S/C17H27N/c1-13-8-5-6-10-15(13)16-11-7-9-14(16)12-18-17(2,3)4/h5-6,8,10,14,16,18H,7,9,11-12H2,1-4H3
InChIKeyIPUMAFSZBYCBSV-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81027530
N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023531
N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026613
N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022399
2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080
2-methyl-N-[[2-(2,4,5-trimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81023321
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034688
2-methyl-N-[(2-thiophen-3-ylcyclopentyl)methyl]propan-2-amine
CID 81027535
2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017765
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine (CID 81028338) is 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine is Cc1ccccc1C1CCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is IPUMAFSZBYCBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-8-5-6-10-15(13)16-11-7-9-14(16)12-18-17(2,3)4/h5-6,8,10,14,16,18H,7,9,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81028338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).