N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine

C14H21ClFN — CID 114842422

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C14H21ClFN/c1-4-10(2)7-11(3)17-9-12-8-13(15)5-6-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyGOGMJKSWFFBRHK-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.39
Rot. Bonds6

About N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine

N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine (PubChem CID 114842422) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
PubChem CID114842422
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C14H21ClFN/c1-4-10(2)7-11(3)17-9-12-8-13(15)5-6-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyGOGMJKSWFFBRHK-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 114842197
4-chloro-N-[(5-chloro-2-fluorophenyl)methyl]butan-2-amine
CID 103050046
3-[(5-chloro-2-fluorophenyl)methylamino]butanenitrile
CID 104586886
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
CID 103052938
N-[(5-chloro-2-fluorophenyl)methyl]pent-4-en-2-amine
CID 115762436
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899865
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717120
N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
CID 115656031
4-[3-[(5-chloro-2-fluorophenyl)methylamino]butyl]phenol
CID 115762242

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine (CID 114842422) is N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine is CCC(C)CC(C)NCc1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine?
The InChIKey is GOGMJKSWFFBRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-4-10(2)7-11(3)17-9-12-8-13(15)5-6-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine has a molecular weight of 257.78 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine is sourced from PubChem (CID 114842422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).