N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine

C16H26N2O — CID 65383474

IUPACN-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)NC2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-2-19-15-10-6-7-13(11-15)16(12-17)18-14-8-4-3-5-9-14/h6-7,10-11,14,16,18H,2-5,8-9,12,17H2,1H3
InChIKeyQVWIMGNUZSVVMX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.01
Rot. Bonds6

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

N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 65383474) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
PubChem CID65383474
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)NC2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-2-19-15-10-6-7-13(11-15)16(12-17)18-14-8-4-3-5-9-14/h6-7,10-11,14,16,18H,2-5,8-9,12,17H2,1H3
InChIKeyQVWIMGNUZSVVMX-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-(cyclohexylamino)-2-(3-ethoxyphenyl)acetonitrile
CID 54894477
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
CID 116771298
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine (CID 65383474) is N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine is CCOc1cccc(C(CN)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is QVWIMGNUZSVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-19-15-10-6-7-13(11-15)16(12-17)18-14-8-4-3-5-9-14/h6-7,10-11,14,16,18H,2-5,8-9,12,17H2,1H3.
What are the key properties of N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine?
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).