1-(4-chlorophenoxy)-N-ethylhexan-2-amine

C14H22ClNO — CID 105125264

IUPAC1-(4-chlorophenoxy)-N-ethylhexan-2-amine
SMILESCCCCC(COc1ccc(Cl)cc1)NCC
InChIInChI=1S/C14H22ClNO/c1-3-5-6-13(16-4-2)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyGVPHAHXERKVVAS-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.89
Rot. Bonds8

About 1-(4-chlorophenoxy)-N-ethylhexan-2-amine

1-(4-chlorophenoxy)-N-ethylhexan-2-amine (PubChem CID 105125264) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-N-ethylhexan-2-amine
PubChem CID105125264
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chlorophenoxy)-N-ethylhexan-2-amine
SMILESCCCCC(COc1ccc(Cl)cc1)NCC
InChIInChI=1S/C14H22ClNO/c1-3-5-6-13(16-4-2)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyGVPHAHXERKVVAS-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenoxy)-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

1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
1-(4-chlorophenoxy)-N-ethyl-3-propoxypropan-2-amine
CID 105165293
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(4-chlorophenoxy)-N-ethyl-4-methylhexan-2-amine
CID 105138305
1-(4-chlorophenoxy)-3-(octan-4-ylamino)propan-2-ol
CID 106024294
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697
N-ethyl-1-phenylmethoxyhexan-2-amine
CID 131008308

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-N-ethylhexan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-N-ethylhexan-2-amine (CID 105125264) is 1-(4-chlorophenoxy)-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-N-ethylhexan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-N-ethylhexan-2-amine is CCCCC(COc1ccc(Cl)cc1)NCC.
What is the InChIKey of 1-(4-chlorophenoxy)-N-ethylhexan-2-amine?
The InChIKey is GVPHAHXERKVVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-5-6-13(16-4-2)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-N-ethylhexan-2-amine?
1-(4-chlorophenoxy)-N-ethylhexan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-N-ethylhexan-2-amine is sourced from PubChem (CID 105125264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).