N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine

C16H25NO — CID 64505934

IUPACN-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine
SMILESCCNC1CCC(Cc2cc(C)ccc2OC)C1
InChIInChI=1S/C16H25NO/c1-4-17-15-7-6-13(11-15)10-14-9-12(2)5-8-16(14)18-3/h5,8-9,13,15,17H,4,6-7,10-11H2,1-3H3
InChIKeyHFBFYFZUUMNOBA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine

N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 64505934) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID64505934
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine
SMILESCCNC1CCC(Cc2cc(C)ccc2OC)C1
InChIInChI=1S/C16H25NO/c1-4-17-15-7-6-13(11-15)10-14-9-12(2)5-8-16(14)18-3/h5,8-9,13,15,17H,4,6-7,10-11H2,1-3H3
InChIKeyHFBFYFZUUMNOBA-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 62529959
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine (CID 64505934) is N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine is CCNC1CCC(Cc2cc(C)ccc2OC)C1.
What is the InChIKey of N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is HFBFYFZUUMNOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-15-7-6-13(11-15)10-14-9-12(2)5-8-16(14)18-3/h5,8-9,13,15,17H,4,6-7,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine?
N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64505934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).