4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline

C19H26N2 — CID 63817569

IUPAC4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
SMILESCCC(N)Cc1ccc(N(C)c2ccccc2C)c(C)c1
InChIInChI=1S/C19H26N2/c1-5-17(20)13-16-10-11-19(15(3)12-16)21(4)18-9-7-6-8-14(18)2/h6-12,17H,5,13,20H2,1-4H3
InChIKeyYAIMSJCYWWSOPK-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.35
Rot. Bonds5

About 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline

4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline (PubChem CID 63817569) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
PubChem CID63817569
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
SMILESCCC(N)Cc1ccc(N(C)c2ccccc2C)c(C)c1
InChIInChI=1S/C19H26N2/c1-5-17(20)13-16-10-11-19(15(3)12-16)21(4)18-9-7-6-8-14(18)2/h6-12,17H,5,13,20H2,1-4H3
InChIKeyYAIMSJCYWWSOPK-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-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863
5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80630732
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 63816309
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
CID 63803633
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
CID 63803492

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline (CID 63817569) is 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline is CCC(N)Cc1ccc(N(C)c2ccccc2C)c(C)c1.
What is the InChIKey of 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline?
The InChIKey is YAIMSJCYWWSOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-17(20)13-16-10-11-19(15(3)12-16)21(4)18-9-7-6-8-14(18)2/h6-12,17H,5,13,20H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline?
4-(2-aminobutyl)-N,2-dimethyl-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-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 63817569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).