N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine

C19H31NO — CID 107428323

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCOCc1cccc(CNC2CCCC(CC(C)C)C2)c1
InChIInChI=1S/C19H31NO/c1-15(2)10-16-6-5-9-19(12-16)20-13-17-7-4-8-18(11-17)14-21-3/h4,7-8,11,15-16,19-20H,5-6,9-10,12-14H2,1-3H3
InChIKeyJRDHUZOFQZWETI-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds7

About N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine

N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428323) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428323
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCOCc1cccc(CNC2CCCC(CC(C)C)C2)c1
InChIInChI=1S/C19H31NO/c1-15(2)10-16-6-5-9-19(12-16)20-13-17-7-4-8-18(11-17)14-21-3/h4,7-8,11,15-16,19-20H,5-6,9-10,12-14H2,1-3H3
InChIKeyJRDHUZOFQZWETI-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428036
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62443430

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428323) is N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine is COCc1cccc(CNC2CCCC(CC(C)C)C2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is JRDHUZOFQZWETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)10-16-6-5-9-19(12-16)20-13-17-7-4-8-18(11-17)14-21-3/h4,7-8,11,15-16,19-20H,5-6,9-10,12-14H2,1-3H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).