N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine

C17H28N2O — CID 16783431

IUPACN-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCCN(C1CCCCC1)C(CN)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O/c1-3-19(15-9-5-4-6-10-15)17(13-18)14-8-7-11-16(12-14)20-2/h7-8,11-12,15,17H,3-6,9-10,13,18H2,1-2H3
InChIKeyQCZZDVZHRZZKII-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds6

About N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine

N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 16783431) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID16783431
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCCN(C1CCCCC1)C(CN)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O/c1-3-19(15-9-5-4-6-10-15)17(13-18)14-8-7-11-16(12-14)20-2/h7-8,11-12,15,17H,3-6,9-10,13,18H2,1-2H3
InChIKeyQCZZDVZHRZZKII-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-amino-1-(3-methoxyphenyl)ethyl]-cyclopropylamino]propanenitrile
CID 55018309
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-cyclopropyl-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450741
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302
N-cyclohexyl-N-ethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 43078748
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43180409
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine (CID 16783431) is N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine is CCN(C1CCCCC1)C(CN)c1cccc(OC)c1.
What is the InChIKey of N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is QCZZDVZHRZZKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(15-9-5-4-6-10-15)17(13-18)14-8-7-11-16(12-14)20-2/h7-8,11-12,15,17H,3-6,9-10,13,18H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine?
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 16783431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).