4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine

C16H27N3O — CID 79731299

IUPAC4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
SMILESCN(C)CCOc1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H27N3O/c1-19(2)11-12-20-16-9-7-15(8-10-16)18-14-5-3-13(17)4-6-14/h7-10,13-14,18H,3-6,11-12,17H2,1-2H3
InChIKeyWKVUGJUAWDNHAS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds6

About 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine

4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine (PubChem CID 79731299) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
PubChem CID79731299
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
SMILESCN(C)CCOc1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H27N3O/c1-19(2)11-12-20-16-9-7-15(8-10-16)18-14-5-3-13(17)4-6-14/h7-10,13-14,18H,3-6,11-12,17H2,1-2H3
InChIKeyWKVUGJUAWDNHAS-UHFFFAOYSA-N
XLogP2.31
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-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

4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
CID 54863930
4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
CID 64502151
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
CID 65046094
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline
CID 60943035
1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
CID 80559817
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
CID 106594080

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine (CID 79731299) is 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine is CN(C)CCOc1ccc(NC2CCC(N)CC2)cc1.
What is the InChIKey of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine?
The InChIKey is WKVUGJUAWDNHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(2)11-12-20-16-9-7-15(8-10-16)18-14-5-3-13(17)4-6-14/h7-10,13-14,18H,3-6,11-12,17H2,1-2H3.
What are the key properties of 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine?
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine has a molecular weight of 277.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79731299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).