3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline

C20H27ClN2O — CID 18998082

IUPAC3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline
SMILESCC(C)OC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1Cl
InChIInChI=1S/C20H27ClN2O/c1-14(2)24-20(15-7-9-16(10-8-15)22(3)4)18-12-11-17(23(5)6)13-19(18)21/h7-14,20H,1-6H3
InChIKeyZHVPZDOXJWJALY-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.99
Rot. Bonds6

About 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline

3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline (PubChem CID 18998082) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline
PubChem CID18998082
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline
SMILESCC(C)OC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1Cl
InChIInChI=1S/C20H27ClN2O/c1-14(2)24-20(15-7-9-16(10-8-15)22(3)4)18-12-11-17(23(5)6)13-19(18)21/h7-14,20H,1-6H3
InChIKeyZHVPZDOXJWJALY-UHFFFAOYSA-N
XLogP4.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline 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-chloro-phenyl)-methyl-((S)-4-morpholin-2-yl-phenyl)-amine
CID 68325525
[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol
CID 118349184
Benzenamine, 4-(4-(2-chlorophenyl)-2,5-dihydro-2,2-dimethyl-5-oxazolyl)-N,N-dimethyl-
CID 3061436
Benzenamine, 4-(4-(3-chlorophenyl)-2,5-dihydro-2,2-dimethyl-5-oxazolyl)-N,N-dimethyl-
CID 3061437
[2-Chloro-4-[(2,5-difluorophenyl)methyl-ethylamino]phenyl]methanol
CID 155804988
[2-Chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol
CID 155805371
[2-Chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155806741
[2-Chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol
CID 155808118
[2-Chloro-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155808123
[2-Chloro-4-[(2,3-difluorophenyl)methyl-ethylamino]phenyl]methanol
CID 155809895
[2-Chloro-4-[(3,4-difluorophenyl)methyl-ethylamino]phenyl]methanol
CID 155809896
[4-[Butyl-[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol
CID 155811298

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline?
The IUPAC name of 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline (CID 18998082) is 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline is CC(C)OC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1Cl.
What is the InChIKey of 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline?
The InChIKey is ZHVPZDOXJWJALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-14(2)24-20(15-7-9-16(10-8-15)22(3)4)18-12-11-17(23(5)6)13-19(18)21/h7-14,20H,1-6H3.
What are the key properties of 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline?
3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline has a molecular weight of 346.90 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[4-(dimethylamino)phenyl]-propan-2-yloxymethyl]-N,N-dimethylaniline is sourced from PubChem (CID 18998082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).