1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine

C16H18ClFN2 — CID 114843231

IUPAC1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H18ClFN2/c1-11(12-5-3-2-4-6-12)20-16(10-19)14-8-7-13(17)9-15(14)18/h2-9,11,16,20H,10,19H2,1H3
InChIKeyYOBYLZGSYMFZQK-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine

1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 114843231) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID114843231
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H18ClFN2/c1-11(12-5-3-2-4-6-12)20-16(10-19)14-8-7-13(17)9-15(14)18/h2-9,11,16,20H,10,19H2,1H3
InChIKeyYOBYLZGSYMFZQK-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
1-(3-bromo-4-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193601
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(4-chloro-2-fluorophenyl)-N-prop-2-ynylethane-1,2-diamine
CID 114843243
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193818
1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114843411
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine (CID 114843231) is 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine is CC(NC(CN)c1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is YOBYLZGSYMFZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(12-5-3-2-4-6-12)20-16(10-19)14-8-7-13(17)9-15(14)18/h2-9,11,16,20H,10,19H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 292.79 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 114843231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).