5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline

C17H27ClN2 — CID 114849898

IUPAC5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(CC(C)C)C1CC1
InChIInChI=1S/C17H27ClN2/c1-4-9-19-11-14-5-6-15(18)10-17(14)20(12-13(2)3)16-7-8-16/h5-6,10,13,16,19H,4,7-9,11-12H2,1-3H3
InChIKeyVEZJAMGEUUBZJJ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.46
Rot. Bonds8

About 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline

5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline (PubChem CID 114849898) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
PubChem CID114849898
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(CC(C)C)C1CC1
InChIInChI=1S/C17H27ClN2/c1-4-9-19-11-14-5-6-15(18)10-17(14)20(12-13(2)3)16-7-8-16/h5-6,10,13,16,19H,4,7-9,11-12H2,1-3H3
InChIKeyVEZJAMGEUUBZJJ-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849913
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 63553418
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline (CID 114849898) is 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline is CCCNCc1ccc(Cl)cc1N(CC(C)C)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The InChIKey is VEZJAMGEUUBZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-9-19-11-14-5-6-15(18)10-17(14)20(12-13(2)3)16-7-8-16/h5-6,10,13,16,19H,4,7-9,11-12H2,1-3H3.
What are the key properties of 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline has a molecular weight of 294.87 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 114849898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).