(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine

C14H18ClN3 — CID 81372752

IUPAC(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
SMILESCc1nccn1CCN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-11(13-4-3-5-14(15)10-13)16-6-8-18-9-7-17-12(18)2/h3-5,7,9-11,16H,6,8H2,1-2H3/t11-/m1/s1
InChIKeyNQPWNGFXAVCAKR-LLVKDONJSA-N
MW263.77 g/mol
LogP3.20
Rot. Bonds5

About (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine (PubChem CID 81372752) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
PubChem CID81372752
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
SMILESCc1nccn1CCN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-11(13-4-3-5-14(15)10-13)16-6-8-18-9-7-17-12(18)2/h3-5,7,9-11,16H,6,8H2,1-2H3/t11-/m1/s1
InChIKeyNQPWNGFXAVCAKR-LLVKDONJSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81371719
(1R)-1-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81365719
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897772
(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81379316
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
(1R)-1-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81380913
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine (CID 81372752) is (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine is Cc1nccn1CCN[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The InChIKey is NQPWNGFXAVCAKR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11(13-4-3-5-14(15)10-13)16-6-8-18-9-7-17-12(18)2/h3-5,7,9-11,16H,6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 81372752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).