4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline

C16H27ClN2 — CID 81166065

IUPAC4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(CC(N)CC)cc1Cl
InChIInChI=1S/C16H27ClN2/c1-5-12(3)11-19(4)16-8-7-13(10-15(16)17)9-14(18)6-2/h7-8,10,12,14H,5-6,9,11,18H2,1-4H3
InChIKeyGMEUJRPPCUFWBH-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.10
Rot. Bonds7

About 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline

4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline (PubChem CID 81166065) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
PubChem CID81166065
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(CC(N)CC)cc1Cl
InChIInChI=1S/C16H27ClN2/c1-5-12(3)11-19(4)16-8-7-13(10-15(16)17)9-14(18)6-2/h7-8,10,12,14H,5-6,9,11,18H2,1-4H3
InChIKeyGMEUJRPPCUFWBH-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 81165724
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81159206
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81148696
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81159789
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
CID 55235251

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline (CID 81166065) is 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline is CCC(C)CN(C)c1ccc(CC(N)CC)cc1Cl.
What is the InChIKey of 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline?
The InChIKey is GMEUJRPPCUFWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-12(3)11-19(4)16-8-7-13(10-15(16)17)9-14(18)6-2/h7-8,10,12,14H,5-6,9,11,18H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline?
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline has a molecular weight of 282.86 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 81166065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).