N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine

C15H24FN — CID 43434198

IUPACN-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12/h6-9,17H,10-11H2,1-5H3
InChIKeyCBHINUMMUBXALL-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.13
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine

N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 43434198) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID43434198
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12/h6-9,17H,10-11H2,1-5H3
InChIKeyCBHINUMMUBXALL-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132755
N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331375
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383
2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
CID 6463081
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine (CID 43434198) is N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is CBHINUMMUBXALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12/h6-9,17H,10-11H2,1-5H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine?
N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 4.13, 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]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43434198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).