2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine

C12H18FN — CID 62725307

IUPAC2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1ccccc1F
InChIInChI=1S/C12H18FN/c1-3-12(2,9-14)8-10-6-4-5-7-11(10)13/h4-7H,3,8-9,14H2,1-2H3
InChIKeyMKKARCDHEGSMQH-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.74
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine

2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine (PubChem CID 62725307) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
PubChem CID62725307
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1ccccc1F
InChIInChI=1S/C12H18FN/c1-3-12(2,9-14)8-10-6-4-5-7-11(10)13/h4-7H,3,8-9,14H2,1-2H3
InChIKeyMKKARCDHEGSMQH-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
CID 84723815
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine (CID 62725307) is 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine is CCC(C)(CN)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is MKKARCDHEGSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-12(2,9-14)8-10-6-4-5-7-11(10)13/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine?
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62725307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).