(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine

C14H17Cl2N3 — CID 94410101

IUPAC(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCn1ccnc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3/c1-3-19-7-6-17-14(19)9-18-10(2)11-4-5-12(15)13(16)8-11/h4-8,10,18H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyPSOBEBGVNZEBJP-JTQLQIEISA-N
MW298.22 g/mol
LogP4.06
Rot. Bonds5

About (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine

(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 94410101) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID94410101
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCn1ccnc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3/c1-3-19-7-6-17-14(19)9-18-10(2)11-4-5-12(15)13(16)8-11/h4-8,10,18H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyPSOBEBGVNZEBJP-JTQLQIEISA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine 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

N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401652
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine (CID 94410101) is (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine is CCn1ccnc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is PSOBEBGVNZEBJP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-3-19-7-6-17-14(19)9-18-10(2)11-4-5-12(15)13(16)8-11/h4-8,10,18H,3,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 94410101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).