(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine

C15H18ClN3 — CID 81351919

IUPAC(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cncn1C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-11(12-2-4-13(16)5-3-12)18-9-15-8-17-10-19(15)14-6-7-14/h2-5,8,10-11,14,18H,6-7,9H2,1H3/t11-/m0/s1
InChIKeyWRTYYKJLJWXVQF-NSHDSACASA-N
MW275.78 g/mol
LogP3.72
Rot. Bonds5

About (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine

(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine (PubChem CID 81351919) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
PubChem CID81351919
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cncn1C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-11(12-2-4-13(16)5-3-12)18-9-15-8-17-10-19(15)14-6-7-14/h2-5,8,10-11,14,18H,6-7,9H2,1H3/t11-/m0/s1
InChIKeyWRTYYKJLJWXVQF-NSHDSACASA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine (CID 81351919) is (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine is C[C@H](NCc1cncn1C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The InChIKey is WRTYYKJLJWXVQF-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(12-2-4-13(16)5-3-12)18-9-15-8-17-10-19(15)14-6-7-14/h2-5,8,10-11,14,18H,6-7,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81351919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).