1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine

C17H24Cl2FN — CID 63479051

IUPAC1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cc(F)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H24Cl2FN/c1-3-17(12-7-5-4-6-8-12)21-11(2)13-9-16(20)15(19)10-14(13)18/h9-12,17,21H,3-8H2,1-2H3
InChIKeyRPRSRBPBIWOMLB-UHFFFAOYSA-N
MW332.29 g/mol
LogP6.14
Rot. Bonds5

About 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine

1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63479051) has the molecular formula C17H24Cl2FN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine
PubChem CID63479051
Molecular FormulaC17H24Cl2FN
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cc(F)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H24Cl2FN/c1-3-17(12-7-5-4-6-8-12)21-11(2)13-9-16(20)15(19)10-14(13)18/h9-12,17,21H,3-8H2,1-2H3
InChIKeyRPRSRBPBIWOMLB-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
CID 82774393
N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 63450527
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43767888
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81364650
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727
1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 63448794
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
CID 82709029
1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 64919026

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine (CID 63479051) is 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine is CCC(NC(C)c1cc(F)c(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is RPRSRBPBIWOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2FN/c1-3-17(12-7-5-4-6-8-12)21-11(2)13-9-16(20)15(19)10-14(13)18/h9-12,17,21H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine?
1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63479051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).