N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine

C17H27NO — CID 81028833

IUPACN-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1Cc1ccccc1OC
InChIInChI=1S/C17H27NO/c1-3-18-13-16-10-5-4-8-14(16)12-15-9-6-7-11-17(15)19-2/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3
InChIKeyYIPRXVNPUYELRW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds6

About N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine

N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 81028833) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID81028833
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1Cc1ccccc1OC
InChIInChI=1S/C17H27NO/c1-3-18-13-16-10-5-4-8-14(16)12-15-9-6-7-11-17(15)19-2/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3
InChIKeyYIPRXVNPUYELRW-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017088
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine (CID 81028833) is N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1Cc1ccccc1OC.
What is the InChIKey of N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is YIPRXVNPUYELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18-13-16-10-5-4-8-14(16)12-15-9-6-7-11-17(15)19-2/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3.
What are the key properties of N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine?
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81028833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).