4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline

C19H26N2 — CID 63785927

IUPAC4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C19H26N2/c1-5-21(18-9-7-6-8-14(18)2)19-11-10-17(12-15(19)3)13-16(4)20/h6-12,16H,5,13,20H2,1-4H3
InChIKeyIWFHTIPLFSVKEO-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.35
Rot. Bonds5

About 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline

4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline (PubChem CID 63785927) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
PubChem CID63785927
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C19H26N2/c1-5-21(18-9-7-6-8-14(18)2)19-11-10-17(12-15(19)3)13-16(4)20/h6-12,16H,5,13,20H2,1-4H3
InChIKeyIWFHTIPLFSVKEO-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
CID 63785925
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 114860300
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
CID 63785098
5-(2-aminopropyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80634444
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63815482

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline (CID 63785927) is 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline is CCN(c1ccccc1C)c1ccc(CC(C)N)cc1C.
What is the InChIKey of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The InChIKey is IWFHTIPLFSVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-21(18-9-7-6-8-14(18)2)19-11-10-17(12-15(19)3)13-16(4)20/h6-12,16H,5,13,20H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline has a molecular weight of 282.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 63785927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).