2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline

C18H23ClN2 — CID 114860300

IUPAC2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C18H23ClN2/c1-4-21(17-8-6-5-7-13(17)2)18-12-16(19)10-9-15(18)11-14(3)20/h5-10,12,14H,4,11,20H2,1-3H3
InChIKeyRHGSLKVWLGBCCP-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.70
Rot. Bonds5

About 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline

2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline (PubChem CID 114860300) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
PubChem CID114860300
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C18H23ClN2/c1-4-21(17-8-6-5-7-13(17)2)18-12-16(19)10-9-15(18)11-14(3)20/h5-10,12,14H,4,11,20H2,1-3H3
InChIKeyRHGSLKVWLGBCCP-UHFFFAOYSA-N
XLogP4.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
CID 63785925
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(2-aminopropyl)-N-ethyl-N-(4-methylphenyl)aniline
CID 63816327
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
CID 104833908
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114861661

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline (CID 114860300) is 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline is CCN(c1ccccc1C)c1cc(Cl)ccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline?
The InChIKey is RHGSLKVWLGBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-21(17-8-6-5-7-13(17)2)18-12-16(19)10-9-15(18)11-14(3)20/h5-10,12,14H,4,11,20H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline?
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline has a molecular weight of 302.85 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 114860300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).