3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine

C18H30N2O — CID 65486545

IUPAC3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
SMILESCOc1ccccc1CC(C)N(C)CC1CCCC(N)C1
InChIInChI=1S/C18H30N2O/c1-14(11-16-8-4-5-10-18(16)21-3)20(2)13-15-7-6-9-17(19)12-15/h4-5,8,10,14-15,17H,6-7,9,11-13,19H2,1-3H3
InChIKeyMNFKSCJVDITTPX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds6

About 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine

3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine (PubChem CID 65486545) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
PubChem CID65486545
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
SMILESCOc1ccccc1CC(C)N(C)CC1CCCC(N)C1
InChIInChI=1S/C18H30N2O/c1-14(11-16-8-4-5-10-18(16)21-3)20(2)13-15-7-6-9-17(19)12-15/h4-5,8,10,14-15,17H,6-7,9,11-13,19H2,1-3H3
InChIKeyMNFKSCJVDITTPX-UHFFFAOYSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947
2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one
CID 65486903
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 65487899
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
4-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79208827
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine (CID 65486545) is 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine is COc1ccccc1CC(C)N(C)CC1CCCC(N)C1.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is MNFKSCJVDITTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(11-16-8-4-5-10-18(16)21-3)20(2)13-15-7-6-9-17(19)12-15/h4-5,8,10,14-15,17H,6-7,9,11-13,19H2,1-3H3.
What are the key properties of 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine?
3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 65486545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).