N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine

C16H25NO2 — CID 64500923

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(OC)cc2OC)C1
InChIInChI=1S/C16H25NO2/c1-4-12-5-7-14(9-12)17-11-13-6-8-15(18-2)10-16(13)19-3/h6,8,10,12,14,17H,4-5,7,9,11H2,1-3H3
InChIKeyIBMKGSKKTHFWIH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine (PubChem CID 64500923) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
PubChem CID64500923
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(OC)cc2OC)C1
InChIInChI=1S/C16H25NO2/c1-4-12-5-7-14(9-12)17-11-13-6-8-15(18-2)10-16(13)19-3/h6,8,10,12,14,17H,4-5,7,9,11H2,1-3H3
InChIKeyIBMKGSKKTHFWIH-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(2,4-dimethoxyphenyl)methyl]-5-methylthiolan-3-amine
CID 79949733
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43177543
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine (CID 64500923) is N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine is CCC1CCC(NCc2ccc(OC)cc2OC)C1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine?
The InChIKey is IBMKGSKKTHFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-12-5-7-14(9-12)17-11-13-6-8-15(18-2)10-16(13)19-3/h6,8,10,12,14,17H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64500923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).