1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine

C14H18ClN3 — CID 62742896

IUPAC1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
SMILESCc1ncc(CNC(C)Cc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C14H18ClN3/c1-10(6-12-4-3-5-13(15)7-12)16-8-14-9-17-11(2)18-14/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,17,18)
InChIKeyYGQQVBNNPDHDMV-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.09
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine

1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine (PubChem CID 62742896) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
PubChem CID62742896
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
SMILESCc1ncc(CNC(C)Cc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C14H18ClN3/c1-10(6-12-4-3-5-13(15)7-12)16-8-14-9-17-11(2)18-14/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,17,18)
InChIKeyYGQQVBNNPDHDMV-UHFFFAOYSA-N
XLogP3.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 43694725
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62741442
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115633676
1-(3-chlorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63050519
1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
4-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 43694814
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43694732
5-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675586
1-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63697757
1-(3-chlorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-2-amine
CID 115608410
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine (CID 62742896) is 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine is Cc1ncc(CNC(C)Cc2cccc(Cl)c2)[nH]1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The InChIKey is YGQQVBNNPDHDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(6-12-4-3-5-13(15)7-12)16-8-14-9-17-11(2)18-14/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine?
1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 62742896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).