4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline

C16H18Cl2N2 — CID 130243936

IUPAC4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
SMILESCC(N)c1ccc(NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-11(19)12-3-6-15(7-4-12)20-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,20H,8-9,19H2,1H3
InChIKeyYNWZIKJGQLRSBG-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.67
Rot. Bonds5

About 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline

4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline (PubChem CID 130243936) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
PubChem CID130243936
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
SMILESCC(N)c1ccc(NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-11(19)12-3-6-15(7-4-12)20-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,20H,8-9,19H2,1H3
InChIKeyYNWZIKJGQLRSBG-UHFFFAOYSA-N
XLogP4.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63536432
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181090
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 63536591
4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 115367084
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline?
The IUPAC name of 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline (CID 130243936) is 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline?
The canonical SMILES for 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline is CC(N)c1ccc(NCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline?
The InChIKey is YNWZIKJGQLRSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-11(19)12-3-6-15(7-4-12)20-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,20H,8-9,19H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline?
4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline has a molecular weight of 309.24 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline is sourced from PubChem (CID 130243936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).