2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline

C18H31ClN2 — CID 114861221

IUPAC2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline
SMILESCCC(N)Cc1cc(Cl)ccc1N(CC)CC(CC)CC
InChIInChI=1S/C18H31ClN2/c1-5-14(6-2)13-21(8-4)18-10-9-16(19)11-15(18)12-17(20)7-3/h9-11,14,17H,5-8,12-13,20H2,1-4H3
InChIKeyWGBPEYXZXKXTRI-UHFFFAOYSA-N
MW310.91 g/mol
LogP4.88
Rot. Bonds9

About 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline

2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline (PubChem CID 114861221) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline
PubChem CID114861221
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC Name2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline
SMILESCCC(N)Cc1cc(Cl)ccc1N(CC)CC(CC)CC
InChIInChI=1S/C18H31ClN2/c1-5-14(6-2)13-21(8-4)18-10-9-16(19)11-15(18)12-17(20)7-3/h9-11,14,17H,5-8,12-13,20H2,1-4H3
InChIKeyWGBPEYXZXKXTRI-UHFFFAOYSA-N
XLogP4.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114861846
2-(bromomethyl)-4-chloro-N-ethyl-N-(2-methylpropyl)aniline
CID 107080090
4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 114844073
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114016626
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
2-(bromomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114054619
2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 114861047
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114860842

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline (CID 114861221) is 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline is CCC(N)Cc1cc(Cl)ccc1N(CC)CC(CC)CC.
What is the InChIKey of 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
The InChIKey is WGBPEYXZXKXTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2/c1-5-14(6-2)13-21(8-4)18-10-9-16(19)11-15(18)12-17(20)7-3/h9-11,14,17H,5-8,12-13,20H2,1-4H3.
What are the key properties of 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline has a molecular weight of 310.91 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline is sourced from PubChem (CID 114861221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).