N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine

C18H29N — CID 115778732

IUPACN-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
SMILESCCNC(c1ccccc1C(C)(C)C)C1CCCC1
InChIInChI=1S/C18H29N/c1-5-19-17(14-10-6-7-11-14)15-12-8-9-13-16(15)18(2,3)4/h8-9,12-14,17,19H,5-7,10-11H2,1-4H3
InChIKeyWKLZVUTZDPLQNG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.82
Rot. Bonds4

About N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine

N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine (PubChem CID 115778732) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
PubChem CID115778732
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
SMILESCCNC(c1ccccc1C(C)(C)C)C1CCCC1
InChIInChI=1S/C18H29N/c1-5-19-17(14-10-6-7-11-14)15-12-8-9-13-16(15)18(2,3)4/h8-9,12-14,17,19H,5-7,10-11H2,1-4H3
InChIKeyWKLZVUTZDPLQNG-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853839
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine?
The IUPAC name of N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine (CID 115778732) is N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine.
What is the SMILES notation for N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine?
The canonical SMILES for N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine is CCNC(c1ccccc1C(C)(C)C)C1CCCC1.
What is the InChIKey of N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine?
The InChIKey is WKLZVUTZDPLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-19-17(14-10-6-7-11-14)15-12-8-9-13-16(15)18(2,3)4/h8-9,12-14,17,19H,5-7,10-11H2,1-4H3.
What are the key properties of N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine?
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine is sourced from PubChem (CID 115778732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).