1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine

C16H23F2NO — CID 116722711

IUPAC1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)C(OC)C1CC1
InChIInChI=1S/C16H23F2NO/c1-3-8-19-15(16(20-2)12-5-6-12)10-11-4-7-13(17)14(18)9-11/h4,7,9,12,15-16,19H,3,5-6,8,10H2,1-2H3
InChIKeyCJIBTIDDINEYBU-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.30
Rot. Bonds8

About 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine

1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine (PubChem CID 116722711) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
PubChem CID116722711
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)C(OC)C1CC1
InChIInChI=1S/C16H23F2NO/c1-3-8-19-15(16(20-2)12-5-6-12)10-11-4-7-13(17)14(18)9-11/h4,7,9,12,15-16,19H,3,5-6,8,10H2,1-2H3
InChIKeyCJIBTIDDINEYBU-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 116771493
3-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-1-methoxy-N-propylpropan-2-amine
CID 106268545
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
CID 116722394
N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
CID 116722802
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine (CID 116722711) is 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine is CCCNC(Cc1ccc(F)c(F)c1)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine?
The InChIKey is CJIBTIDDINEYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-8-19-15(16(20-2)12-5-6-12)10-11-4-7-13(17)14(18)9-11/h4,7,9,12,15-16,19H,3,5-6,8,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine?
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 116722711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).