1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine

C15H24FNO — CID 79705438

IUPAC1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C(C)(C)OC
InChIInChI=1S/C15H24FNO/c1-6-7-17-14(15(3,4)18-5)12-8-11(2)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3
InChIKeyUCXBOXKMWYVVIY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.60
Rot. Bonds6

About 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine

1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine (PubChem CID 79705438) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
PubChem CID79705438
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C(C)(C)OC
InChIInChI=1S/C15H24FNO/c1-6-7-17-14(15(3,4)18-5)12-8-11(2)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3
InChIKeyUCXBOXKMWYVVIY-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 79198511
2-methoxy-2-methyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79196999
1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197545
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79704876
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
CID 116761475

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine (CID 79705438) is 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine is CCCNC(c1cc(C)cc(F)c1)C(C)(C)OC.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is UCXBOXKMWYVVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-7-17-14(15(3,4)18-5)12-8-11(2)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 79705438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).