N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C15H25ClN2O — CID 79667626

IUPACN'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CCOc1ccc(Cl)cc1)CC(C)(C)CN
InChIInChI=1S/C15H25ClN2O/c1-4-18(12-15(2,3)11-17)9-10-19-14-7-5-13(16)6-8-14/h5-8H,4,9-12,17H2,1-3H3
InChIKeyUKNFDFKIEBVDTP-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.03
Rot. Bonds8

About N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79667626) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79667626
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CCOc1ccc(Cl)cc1)CC(C)(C)CN
InChIInChI=1S/C15H25ClN2O/c1-4-18(12-15(2,3)11-17)9-10-19-14-7-5-13(16)6-8-14/h5-8H,4,9-12,17H2,1-3H3
InChIKeyUKNFDFKIEBVDTP-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine 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

2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
CID 79662075
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79667626) is N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCN(CCOc1ccc(Cl)cc1)CC(C)(C)CN.
What is the InChIKey of N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is UKNFDFKIEBVDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-18(12-15(2,3)11-17)9-10-19-14-7-5-13(16)6-8-14/h5-8H,4,9-12,17H2,1-3H3.
What are the key properties of N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79667626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).