2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline

C16H18ClNO — CID 65030325

IUPAC2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline
SMILESCC(Cl)c1ccccc1NCCOc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-13(17)15-9-5-6-10-16(15)18-11-12-19-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3
InChIKeyUYTDWTXHLAZHJO-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.48
Rot. Bonds6

About 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline

2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline (PubChem CID 65030325) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline
PubChem CID65030325
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline
SMILESCC(Cl)c1ccccc1NCCOc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-13(17)15-9-5-6-10-16(15)18-11-12-19-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3
InChIKeyUYTDWTXHLAZHJO-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
2-(1-chloroethyl)-N-(4-phenylbutyl)aniline
CID 114334693
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
1-chloro-3-[2-(2-phenoxyethylamino)anilino]propan-2-ol
CID 168637327
N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide
CID 75444196
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
4-chloro-N-(3-phenoxypropyl)pentan-1-amine
CID 106122013
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 106759609
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
2-(1-chloroethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114531766
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline?
The IUPAC name of 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline (CID 65030325) is 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline is CC(Cl)c1ccccc1NCCOc1ccccc1.
What is the InChIKey of 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline?
The InChIKey is UYTDWTXHLAZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-13(17)15-9-5-6-10-16(15)18-11-12-19-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline?
2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline has a molecular weight of 275.78 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 65030325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).