4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline

C16H27ClN2 — CID 63532066

IUPAC4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
SMILESCCCCN(CCCC)c1ccc(C(C)N)cc1Cl
InChIInChI=1S/C16H27ClN2/c1-4-6-10-19(11-7-5-2)16-9-8-14(13(3)18)12-15(16)17/h8-9,12-13H,4-7,10-11,18H2,1-3H3
InChIKeyASIUEBNVQYWOPM-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.77
Rot. Bonds8

About 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline

4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline (PubChem CID 63532066) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
PubChem CID63532066
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
SMILESCCCCN(CCCC)c1ccc(C(C)N)cc1Cl
InChIInChI=1S/C16H27ClN2/c1-4-6-10-19(11-7-5-2)16-9-8-14(13(3)18)12-15(16)17/h8-9,12-13H,4-7,10-11,18H2,1-3H3
InChIKeyASIUEBNVQYWOPM-UHFFFAOYSA-N
XLogP4.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
2-[N-butyl-2-chloro-4-[(1R)-1-hydroxyethyl]anilino]acetamide
CID 78940689
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylprop-2-enyl)aniline
CID 55189059
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480561
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline?
The IUPAC name of 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline (CID 63532066) is 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline?
The canonical SMILES for 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline is CCCCN(CCCC)c1ccc(C(C)N)cc1Cl.
What is the InChIKey of 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline?
The InChIKey is ASIUEBNVQYWOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-6-10-19(11-7-5-2)16-9-8-14(13(3)18)12-15(16)17/h8-9,12-13H,4-7,10-11,18H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline?
4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline has a molecular weight of 282.86 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline is sourced from PubChem (CID 63532066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).