3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine

C17H25ClFNO — CID 116772044

IUPAC3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1ccc(F)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H25ClFNO/c1-2-21-17(12-6-4-3-5-7-12)16(20)10-13-8-9-14(19)11-15(13)18/h8-9,11-12,16-17H,2-7,10,20H2,1H3
InChIKeyOAMVXUDBCFLWOL-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.33
Rot. Bonds6

About 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine

3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine (PubChem CID 116772044) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
PubChem CID116772044
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1ccc(F)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H25ClFNO/c1-2-21-17(12-6-4-3-5-7-12)16(20)10-13-8-9-14(19)11-15(13)18/h8-9,11-12,16-17H,2-7,10,20H2,1H3
InChIKeyOAMVXUDBCFLWOL-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
2-chloro-1-(2,2-diethoxyethyl)-4-fluorobenzene
CID 146004647
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116723227
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine (CID 116772044) is 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine is CCOC(C(N)Cc1ccc(F)cc1Cl)C1CCCCC1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The InChIKey is OAMVXUDBCFLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-2-21-17(12-6-4-3-5-7-12)16(20)10-13-8-9-14(19)11-15(13)18/h8-9,11-12,16-17H,2-7,10,20H2,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine has a molecular weight of 313.84 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine is sourced from PubChem (CID 116772044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).