N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine

C19H31NO2 — CID 54848643

IUPACN-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCC(C)C2)c1OCC(C)C
InChIInChI=1S/C19H31NO2/c1-14(2)13-22-19-16(8-6-10-18(19)21-4)12-20-17-9-5-7-15(3)11-17/h6,8,10,14-15,17,20H,5,7,9,11-13H2,1-4H3
InChIKeyCUJGYZKQQGEMMN-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.40
Rot. Bonds7

About N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine

N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine (PubChem CID 54848643) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
PubChem CID54848643
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCC(C)C2)c1OCC(C)C
InChIInChI=1S/C19H31NO2/c1-14(2)13-22-19-16(8-6-10-18(19)21-4)12-20-17-9-5-7-15(3)11-17/h6,8,10,14-15,17,20H,5,7,9,11-13H2,1-4H3
InChIKeyCUJGYZKQQGEMMN-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102795067
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
CID 39455831

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine (CID 54848643) is N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine is COc1cccc(CNC2CCCC(C)C2)c1OCC(C)C.
What is the InChIKey of N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is CUJGYZKQQGEMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-14(2)13-22-19-16(8-6-10-18(19)21-4)12-20-17-9-5-7-15(3)11-17/h6,8,10,14-15,17,20H,5,7,9,11-13H2,1-4H3.
What are the key properties of N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 54848643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).