4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine

C12H17F2N — CID 141112133

IUPAC4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-15(2)6-4-3-5-10-7-11(13)9-12(14)8-10/h7-9H,3-6H2,1-2H3
InChIKeyCJPRWNMMDFLSKM-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.85
Rot. Bonds5

About 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine

4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine (PubChem CID 141112133) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
PubChem CID141112133
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-15(2)6-4-3-5-10-7-11(13)9-12(14)8-10/h7-9H,3-6H2,1-2H3
InChIKeyCJPRWNMMDFLSKM-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine
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CID 171396178
2,4,6-tris[10-(dimethylamino)decyl]phenol
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4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
3-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]benzene-1,2-diamine
CID 126558940
1-(3-bromopropyl)-3,5-difluorobenzene
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CID 19883676
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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine (CID 141112133) is 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine is CN(C)CCCCc1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
The InChIKey is CJPRWNMMDFLSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-15(2)6-4-3-5-10-7-11(13)9-12(14)8-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 141112133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).