2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine

C14H22FNO — CID 62530603

IUPAC2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCC(CN)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)17-8-7-12(10-16)9-13-5-3-4-6-14(13)15/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyZTTFZOFUTDGRKS-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.76
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine

2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 62530603) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
PubChem CID62530603
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCC(CN)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)17-8-7-12(10-16)9-13-5-3-4-6-14(13)15/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyZTTFZOFUTDGRKS-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113474146
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CID 115984177
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
1-(2-ethylbutyl)-2-fluorobenzene
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2-(2-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
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2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
CID 106456725
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine (CID 62530603) is 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine is CC(C)OCCC(CN)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is ZTTFZOFUTDGRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(2)17-8-7-12(10-16)9-13-5-3-4-6-14(13)15/h3-6,11-12H,7-10,16H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine?
2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 62530603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).