N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline

C18H24N2 — CID 63816863

IUPACN-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
SMILESCCC(N)Cc1ccccc1N(C)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-4-16(19)13-15-10-6-8-12-18(15)20(3)17-11-7-5-9-14(17)2/h5-12,16H,4,13,19H2,1-3H3
InChIKeyQURRCKGRRLLWNB-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds5

About N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline

N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline (PubChem CID 63816863) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
PubChem CID63816863
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
SMILESCCC(N)Cc1ccccc1N(C)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-4-16(19)13-15-10-6-8-12-18(15)20(3)17-11-7-5-9-14(17)2/h5-12,16H,4,13,19H2,1-3H3
InChIKeyQURRCKGRRLLWNB-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80630732
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline?
The IUPAC name of N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline (CID 63816863) is N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline?
The canonical SMILES for N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline is CCC(N)Cc1ccccc1N(C)c1ccccc1C.
What is the InChIKey of N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline?
The InChIKey is QURRCKGRRLLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-16(19)13-15-10-6-8-12-18(15)20(3)17-11-7-5-9-14(17)2/h5-12,16H,4,13,19H2,1-3H3.
What are the key properties of N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline?
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline is sourced from PubChem (CID 63816863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).