1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine

C14H18ClN3 — CID 63001280

IUPAC1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cncn1C
InChIInChI=1S/C14H18ClN3/c1-11(7-12-3-5-13(15)6-4-12)17-9-14-8-16-10-18(14)2/h3-6,8,10-11,17H,7,9H2,1-2H3
InChIKeyVSDIDDTZUUGMHA-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.79
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine

1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 63001280) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
PubChem CID63001280
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cncn1C
InChIInChI=1S/C14H18ClN3/c1-11(7-12-3-5-13(15)6-4-12)17-9-14-8-16-10-18(14)2/h3-6,8,10-11,17H,7,9H2,1-2H3
InChIKeyVSDIDDTZUUGMHA-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 63000910
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
CID 63378660
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 103510869
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine (CID 63001280) is 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1cncn1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is VSDIDDTZUUGMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11(7-12-3-5-13(15)6-4-12)17-9-14-8-16-10-18(14)2/h3-6,8,10-11,17H,7,9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 63001280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).