1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine

C16H26ClNO — CID 116718090

IUPAC1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1cccc(Cl)c1)NCC
InChIInChI=1S/C16H26ClNO/c1-4-8-16(19-6-3)15(18-5-2)12-13-9-7-10-14(17)11-13/h7,9-11,15-16,18H,4-6,8,12H2,1-3H3
InChIKeyYDYBYVHNUWYKCZ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.07
Rot. Bonds9

About 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine

1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine (PubChem CID 116718090) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
PubChem CID116718090
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1cccc(Cl)c1)NCC
InChIInChI=1S/C16H26ClNO/c1-4-8-16(19-6-3)15(18-5-2)12-13-9-7-10-14(17)11-13/h7,9-11,15-16,18H,4-6,8,12H2,1-3H3
InChIKeyYDYBYVHNUWYKCZ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
3-ethoxy-N-ethyl-1-pyridin-3-ylhexan-2-amine
CID 116718024
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
[1-(3-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271215
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine
CID 64533188
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
CID 116773119
1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725602
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine (CID 116718090) is 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine is CCCC(OCC)C(Cc1cccc(Cl)c1)NCC.
What is the InChIKey of 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The InChIKey is YDYBYVHNUWYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-8-16(19-6-3)15(18-5-2)12-13-9-7-10-14(17)11-13/h7,9-11,15-16,18H,4-6,8,12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine is sourced from PubChem (CID 116718090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).