3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline

C16H19ClN2 — CID 43762049

IUPAC3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19ClN2/c1-12(18-15-6-4-5-14(17)11-15)13-7-9-16(10-8-13)19(2)3/h4-12,18H,1-3H3
InChIKeyGNSVSOOKVICULT-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.58
Rot. Bonds4

About 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline

3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline (PubChem CID 43762049) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
PubChem CID43762049
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19ClN2/c1-12(18-15-6-4-5-14(17)11-15)13-7-9-16(10-8-13)19(2)3/h4-12,18H,1-3H3
InChIKeyGNSVSOOKVICULT-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
3-chloro-N-[diethoxyphosphoryl-[4-(dimethylamino)phenyl]methyl]aniline
CID 21210791
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
3-bromo-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-methylaniline
CID 63462952
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
The IUPAC name of 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline (CID 43762049) is 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
The canonical SMILES for 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline is CC(Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
The InChIKey is GNSVSOOKVICULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12(18-15-6-4-5-14(17)11-15)13-7-9-16(10-8-13)19(2)3/h4-12,18H,1-3H3.
What are the key properties of 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline has a molecular weight of 274.80 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline is sourced from PubChem (CID 43762049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).