N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine

C16H25NO2 — CID 43244054

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(OC)c(CNC2CCCC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12-5-4-6-14(9-12)17-11-13-10-15(18-2)7-8-16(13)19-3/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3
InChIKeyLKSYNAAXEOFEKS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine

N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 43244054) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID43244054
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(OC)c(CNC2CCCC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12-5-4-6-14(9-12)17-11-13-10-15(18-2)7-8-16(13)19-3/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3
InChIKeyLKSYNAAXEOFEKS-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(2,5-dimethoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924086
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
N-[(2,5-dimethoxyphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83010248
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine (CID 43244054) is N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine is COc1ccc(OC)c(CNC2CCCC(C)C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is LKSYNAAXEOFEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-4-6-14(9-12)17-11-13-10-15(18-2)7-8-16(13)19-3/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43244054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).