N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine

C16H25NO — CID 104611192

IUPACN-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1(OC)CCCC1
InChIInChI=1S/C16H25NO/c1-4-17-15(14-9-7-13(2)8-10-14)16(18-3)11-5-6-12-16/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyDMYIQSIYVULGDI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds5

About N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine

N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 104611192) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID104611192
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1(OC)CCCC1
InChIInChI=1S/C16H25NO/c1-4-17-15(14-9-7-13(2)8-10-14)16(18-3)11-5-6-12-16/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyDMYIQSIYVULGDI-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]hydrazine
CID 105268611
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
CID 116714645
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine (CID 104611192) is N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)C1(OC)CCCC1.
What is the InChIKey of N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is DMYIQSIYVULGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-15(14-9-7-13(2)8-10-14)16(18-3)11-5-6-12-16/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine?
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 104611192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).