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

C15H25ClFN — CID 17331476

IUPACN-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
SMILESCC(C)(C)CC(C)(C)NCc1ccccc1F.Cl
InChIInChI=1S/C15H24FN.ClH/c1-14(2,3)11-15(4,5)17-10-12-8-6-7-9-13(12)16;/h6-9,17H,10-11H2,1-5H3;1H
InChIKeyLOHWNSVZODXDHS-UHFFFAOYSA-N
MW273.82 g/mol
LogP4.55
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride (PubChem CID 17331476) has the molecular formula C15H25ClFN and a molecular weight of 273.82 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
PubChem CID17331476
Molecular FormulaC15H25ClFN
Molecular Weight273.82 g/mol
Exact Mass273.17
IUPAC NameN-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
SMILESCC(C)(C)CC(C)(C)NCc1ccccc1F.Cl
InChIInChI=1S/C15H24FN.ClH/c1-14(2,3)11-15(4,5)17-10-12-8-6-7-9-13(12)16;/h6-9,17H,10-11H2,1-5H3;1H
InChIKeyLOHWNSVZODXDHS-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 114828923
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
methyl 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl]acetate
CID 115461831
N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine
CID 167781033
3-fluoro-N'-hydroxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]benzenecarboximidamide
CID 77031772
2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 6459149
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722849
N-(1-benzothiophen-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 63445924
N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 43434198
2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111977207

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride (CID 17331476) is N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride is CC(C)(C)CC(C)(C)NCc1ccccc1F.Cl.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The InChIKey is LOHWNSVZODXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN.ClH/c1-14(2,3)11-15(4,5)17-10-12-8-6-7-9-13(12)16;/h6-9,17H,10-11H2,1-5H3;1H.
What are the key properties of N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride has a molecular weight of 273.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride is sourced from PubChem (CID 17331476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).