N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine

C12H18FN — CID 43085072

IUPACN-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FN/c1-9(2)10(3)14-8-11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyNZHHLCIQMFIDKF-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.96
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine

N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine (PubChem CID 43085072) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
PubChem CID43085072
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FN/c1-9(2)10(3)14-8-11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyNZHHLCIQMFIDKF-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
CID 115708475
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine (CID 43085072) is N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine is CC(C)C(C)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine?
The InChIKey is NZHHLCIQMFIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(2)10(3)14-8-11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine?
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43085072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).