5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline

C17H27ClN2 — CID 114849138

IUPAC5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(CCC)CC1CC1
InChIInChI=1S/C17H27ClN2/c1-3-9-19-12-15-7-8-16(18)11-17(15)20(10-4-2)13-14-5-6-14/h7-8,11,14,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyQNYKFGWCAYICIC-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.47
Rot. Bonds9

About 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline

5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline (PubChem CID 114849138) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
PubChem CID114849138
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(CCC)CC1CC1
InChIInChI=1S/C17H27ClN2/c1-3-9-19-12-15-7-8-16(18)11-17(15)20(10-4-2)13-14-5-6-14/h7-8,11,14,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyQNYKFGWCAYICIC-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.47
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

2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 114849135
4-chloro-N,N-bis(cyclopropylmethyl)-2-(propylaminomethyl)aniline
CID 114851666
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849898
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043
5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline
CID 114846715
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline (CID 114849138) is 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline is CCCNCc1ccc(Cl)cc1N(CCC)CC1CC1.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline?
The InChIKey is QNYKFGWCAYICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-9-19-12-15-7-8-16(18)11-17(15)20(10-4-2)13-14-5-6-14/h7-8,11,14,19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline?
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline has a molecular weight of 294.87 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 114849138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).