N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

C17H28N2O — CID 43768402

IUPACN-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOC1CCCCC1NC(CN(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(2)13-16(14-9-5-4-6-10-14)18-15-11-7-8-12-17(15)20-3/h4-6,9-10,15-18H,7-8,11-13H2,1-3H3
InChIKeyXUOXQXMHMOQMKL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds6

About N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43768402) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43768402
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOC1CCCCC1NC(CN(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(2)13-16(14-9-5-4-6-10-14)18-15-11-7-8-12-17(15)20-3/h4-6,9-10,15-18H,7-8,11-13H2,1-3H3
InChIKeyXUOXQXMHMOQMKL-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Methoxyethyl)-1-phenylcyclohexanamine
CID 46839344
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine
CID 13126655
N-(1-Phenylcyclohexyl)-2-ethoxyethanamine
CID 46839345
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
(4-Benzylmorpholin-2-ylmethyl)methylamine
CID 51358399
(2S,3S)-4-(methylamino)-3-[[(2S)-2-phenyl-2-(3-phenylpropylamino)ethyl]amino]butan-2-ol
CID 24792592
2-Propanol, 1-(dibenzylamino)-3-(isopropylamino)-, dihydrochloride
CID 209597
4-Morpholinepropanamine, N-(diphenylmethyl)-
CID 3043813
N-(1,2-Diphenylethyl)-3-(morpholin-4-yl)propan-1-amine
CID 3043814

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 43768402) is N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is COC1CCCCC1NC(CN(C)C)c1ccccc1.
What is the InChIKey of N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is XUOXQXMHMOQMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(2)13-16(14-9-5-4-6-10-14)18-15-11-7-8-12-17(15)20-3/h4-6,9-10,15-18H,7-8,11-13H2,1-3H3.
What are the key properties of N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43768402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).