N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine

C18H29N — CID 81033706

IUPACN-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCc1ccc(CC2CCCC2CNC(C)C)cc1
InChIInChI=1S/C18H29N/c1-4-15-8-10-16(11-9-15)12-17-6-5-7-18(17)13-19-14(2)3/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyWOVGKCWJUQFCQH-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.21
Rot. Bonds6

About N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine

N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 81033706) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID81033706
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCc1ccc(CC2CCCC2CNC(C)C)cc1
InChIInChI=1S/C18H29N/c1-4-15-8-10-16(11-9-15)12-17-6-5-7-18(17)13-19-14(2)3/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyWOVGKCWJUQFCQH-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025704
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine (CID 81033706) is N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine is CCc1ccc(CC2CCCC2CNC(C)C)cc1.
What is the InChIKey of N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is WOVGKCWJUQFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-15-8-10-16(11-9-15)12-17-6-5-7-18(17)13-19-14(2)3/h8-11,14,17-19H,4-7,12-13H2,1-3H3.
What are the key properties of N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81033706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).