4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine

C18H22FNO — CID 82138148

IUPAC4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
SMILESCc1ccc(OCCC(CN)c2ccccc2F)cc1C
InChIInChI=1S/C18H22FNO/c1-13-7-8-16(11-14(13)2)21-10-9-15(12-20)17-5-3-4-6-18(17)19/h3-8,11,15H,9-10,12,20H2,1-2H3
InChIKeySSSKGHDFXZSMPN-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds6

About 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine

4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine (PubChem CID 82138148) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
PubChem CID82138148
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
SMILESCc1ccc(OCCC(CN)c2ccccc2F)cc1C
InChIInChI=1S/C18H22FNO/c1-13-7-8-16(11-14(13)2)21-10-9-15(12-20)17-5-3-4-6-18(17)19/h3-8,11,15H,9-10,12,20H2,1-2H3
InChIKeySSSKGHDFXZSMPN-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
CID 82138221
4-(1,3-benzodioxol-5-yloxy)-2-(2-methylphenyl)butan-1-amine
CID 82138216
4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine
CID 82138850
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968
1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene
CID 79438142
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79439067
2-(2-fluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 83975523
2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]ethanamine
CID 28918465
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
CID 79436772

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine?
The IUPAC name of 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine (CID 82138148) is 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine is Cc1ccc(OCCC(CN)c2ccccc2F)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine?
The InChIKey is SSSKGHDFXZSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-7-8-16(11-14(13)2)21-10-9-15(12-20)17-5-3-4-6-18(17)19/h3-8,11,15H,9-10,12,20H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine?
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine is sourced from PubChem (CID 82138148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).