2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline

C16H27ClN2 — CID 114860632

IUPAC2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
SMILESCCC(N)Cc1cc(Cl)ccc1N(C)C(CC)CC
InChIInChI=1S/C16H27ClN2/c1-5-14(18)11-12-10-13(17)8-9-16(12)19(4)15(6-2)7-3/h8-10,14-15H,5-7,11,18H2,1-4H3
InChIKeyXSRXISIFUUJANI-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.24
Rot. Bonds7

About 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline

2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline (PubChem CID 114860632) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
PubChem CID114860632
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
SMILESCCC(N)Cc1cc(Cl)ccc1N(C)C(CC)CC
InChIInChI=1S/C16H27ClN2/c1-5-14(18)11-12-10-13(17)8-9-16(12)19(4)15(6-2)7-3/h8-10,14-15H,5-7,11,18H2,1-4H3
InChIKeyXSRXISIFUUJANI-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-ethyl-N-(2-ethylbutyl)aniline
CID 114861221
2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114861846
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114860842
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 114861092
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol
CID 146429258
2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
CID 114862282
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline (CID 114860632) is 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline is CCC(N)Cc1cc(Cl)ccc1N(C)C(CC)CC.
What is the InChIKey of 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline?
The InChIKey is XSRXISIFUUJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-14(18)11-12-10-13(17)8-9-16(12)19(4)15(6-2)7-3/h8-10,14-15H,5-7,11,18H2,1-4H3.
What are the key properties of 2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline?
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline has a molecular weight of 282.86 g/mol, XLogP of 4.24, 7 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-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 114860632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).