N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine

C15H22FNO2 — CID 103546676

IUPACN-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FNO2/c1-3-6-17-14(10-15-18-7-8-19-15)12-4-5-13(16)11(2)9-12/h4-5,9,14-15,17H,3,6-8,10H2,1-2H3
InChIKeyIUVMRBMFCDRBBA-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine

N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine (PubChem CID 103546676) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
PubChem CID103546676
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FNO2/c1-3-6-17-14(10-15-18-7-8-19-15)12-4-5-13(16)11(2)9-12/h4-5,9,14-15,17H,3,6-8,10H2,1-2H3
InChIKeyIUVMRBMFCDRBBA-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103546727
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine (CID 103546676) is N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine is CCCNC(CC1OCCO1)c1ccc(F)c(C)c1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is IUVMRBMFCDRBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-6-17-14(10-15-18-7-8-19-15)12-4-5-13(16)11(2)9-12/h4-5,9,14-15,17H,3,6-8,10H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103546676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).