N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine

C17H27NO — CID 81033186

IUPACN-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1cc(C)ccc1OC
InChIInChI=1S/C17H27NO/c1-4-18-12-15-7-5-6-14(15)11-16-10-13(2)8-9-17(16)19-3/h8-10,14-15,18H,4-7,11-12H2,1-3H3
InChIKeyMTDWFUOJDWESJK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds6

About N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine

N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 81033186) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID81033186
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1cc(C)ccc1OC
InChIInChI=1S/C17H27NO/c1-4-18-12-15-7-5-6-14(15)11-16-10-13(2)8-9-17(16)19-3/h8-10,14-15,18H,4-7,11-12H2,1-3H3
InChIKeyMTDWFUOJDWESJK-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021831
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine (CID 81033186) is N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1CCCC1Cc1cc(C)ccc1OC.
What is the InChIKey of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is MTDWFUOJDWESJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-12-15-7-5-6-14(15)11-16-10-13(2)8-9-17(16)19-3/h8-10,14-15,18H,4-7,11-12H2,1-3H3.
What are the key properties of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81033186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).