2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline

C18H23ClN2 — CID 114860397

IUPAC2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(CC)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-3-16(20)12-14-10-11-15(19)13-18(14)21(4-2)17-8-6-5-7-9-17/h5-11,13,16H,3-4,12,20H2,1-2H3
InChIKeyWJSFQCNMORVLSI-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.78
Rot. Bonds6

About 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline

2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline (PubChem CID 114860397) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
PubChem CID114860397
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(CC)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-3-16(20)12-14-10-11-15(19)13-18(14)21(4-2)17-8-6-5-7-9-17/h5-11,13,16H,3-4,12,20H2,1-2H3
InChIKeyWJSFQCNMORVLSI-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392
1-(2-benzylsulfanyl-4-chlorophenyl)butan-2-amine
CID 114865854
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 114860300
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 114861047
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
5-chloro-2-(N-ethylanilino)benzoic acid
CID 63512751
2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline?
The IUPAC name of 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline (CID 114860397) is 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline?
The canonical SMILES for 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline is CCC(N)Cc1ccc(Cl)cc1N(CC)c1ccccc1.
What is the InChIKey of 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline?
The InChIKey is WJSFQCNMORVLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-16(20)12-14-10-11-15(19)13-18(14)21(4-2)17-8-6-5-7-9-17/h5-11,13,16H,3-4,12,20H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline?
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline has a molecular weight of 302.85 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline is sourced from PubChem (CID 114860397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).