N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine

C17H18ClN3 — CID 114854473

IUPACN-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1-n1ncc2ccccc21
InChIInChI=1S/C17H18ClN3/c1-12(2)19-10-14-7-8-15(18)9-17(14)21-16-6-4-3-5-13(16)11-20-21/h3-9,11-12,19H,10H2,1-2H3
InChIKeyNTEHOJJYGBEQSY-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.18
Rot. Bonds4

About N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine

N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine (PubChem CID 114854473) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine
PubChem CID114854473
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC NameN-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1-n1ncc2ccccc21
InChIInChI=1S/C17H18ClN3/c1-12(2)19-10-14-7-8-15(18)9-17(14)21-16-6-4-3-5-13(16)11-20-21/h3-9,11-12,19H,10H2,1-2H3
InChIKeyNTEHOJJYGBEQSY-UHFFFAOYSA-N
XLogP4.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
CID 62141700
N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854525
N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854107
N-[(2-indazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62293767
N-[[4-(indazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62449389
N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
CID 62141701
N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114852030
1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine
CID 82954893
1-(4-bromo-2-indazol-1-ylphenyl)butan-2-amine
CID 63815004
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114849158
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine (CID 114854473) is N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(Cl)cc1-n1ncc2ccccc21.
What is the InChIKey of N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is NTEHOJJYGBEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-12(2)19-10-14-7-8-15(18)9-17(14)21-16-6-4-3-5-13(16)11-20-21/h3-9,11-12,19H,10H2,1-2H3.
What are the key properties of N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine?
N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 299.81 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 114854473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).