1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C15H23ClFNO — CID 103028737

IUPAC1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFNO/c1-5-8-18-14(10-15(2,3)19-4)12-7-6-11(16)9-13(12)17/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyBMONEPGTYNDKNJ-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.33
Rot. Bonds7

About 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103028737) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103028737
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFNO/c1-5-8-18-14(10-15(2,3)19-4)12-7-6-11(16)9-13(12)17/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyBMONEPGTYNDKNJ-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
1-(4-chloro-2-fluorophenyl)-N-propylbut-3-en-1-amine
CID 63081783
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
1-(4-chloro-2-fluorophenyl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116725980
N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 103759856
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103028737) is 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is BMONEPGTYNDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-5-8-18-14(10-15(2,3)19-4)12-7-6-11(16)9-13(12)17/h6-7,9,14,18H,5,8,10H2,1-4H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103028737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).