2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine

C17H27NO — CID 116772639

IUPAC2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
SMILESCNC(C1CCC(C)CC1)C(OC)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13-9-11-14(12-10-13)16(18-2)17(19-3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyMKUIKLKRBQXZIO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds5

About 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine

2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine (PubChem CID 116772639) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
PubChem CID116772639
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
SMILESCNC(C1CCC(C)CC1)C(OC)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13-9-11-14(12-10-13)16(18-2)17(19-3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyMKUIKLKRBQXZIO-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773025
1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine
CID 116772559
1-cyclopentyl-2-methoxy-2-phenylethanol
CID 116756943
1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459354
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
CID 79074735
[[3-iodo-1-(4-methylcyclohexyl)prop-2-enoxy]-diphenylmethyl]benzene
CID 54522785
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
CID 116756910
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine
CID 116772693
2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine
CID 64774837

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine (CID 116772639) is 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine is CNC(C1CCC(C)CC1)C(OC)c1ccccc1.
What is the InChIKey of 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine?
The InChIKey is MKUIKLKRBQXZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-11-14(12-10-13)16(18-2)17(19-3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine?
2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine is sourced from PubChem (CID 116772639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).