N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine

C18H29NO — CID 107177371

IUPACN-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-6-19-17(16-8-7-11-18(16,3)4)15-10-9-14(20-5)12-13(15)2/h9-10,12,16-17,19H,6-8,11H2,1-5H3
InChIKeyQIIPMDDTWYMGRW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds5

About N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine

N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine (PubChem CID 107177371) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
PubChem CID107177371
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-6-19-17(16-8-7-11-18(16,3)4)15-10-9-14(20-5)12-13(15)2/h9-10,12,16-17,19H,6-8,11H2,1-5H3
InChIKeyQIIPMDDTWYMGRW-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330427
N-[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 104518589
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107178071

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine (CID 107177371) is N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1C)C1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The InChIKey is QIIPMDDTWYMGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-19-17(16-8-7-11-18(16,3)4)15-10-9-14(20-5)12-13(15)2/h9-10,12,16-17,19H,6-8,11H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107177371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).