N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine

C14H21ClFN — CID 146174762

IUPACN-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFN/c1-3-6-11(7-4-2)17-10-12-13(15)8-5-9-14(12)16/h5,8-9,11,17H,3-4,6-7,10H2,1-2H3
InChIKeyBUSRCVXBWPRFHZ-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.54
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine (PubChem CID 146174762) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
PubChem CID146174762
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFN/c1-3-6-11(7-4-2)17-10-12-13(15)8-5-9-14(12)16/h5,8-9,11,17H,3-4,6-7,10H2,1-2H3
InChIKeyBUSRCVXBWPRFHZ-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]octan-4-amine
CID 106023231
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
3-chloro-2-[(1-methoxypentan-2-ylamino)methyl]phenol
CID 113276514
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688164
1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
CID 60702242

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine (CID 146174762) is N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine is CCCC(CCC)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine?
The InChIKey is BUSRCVXBWPRFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-3-6-11(7-4-2)17-10-12-13(15)8-5-9-14(12)16/h5,8-9,11,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine has a molecular weight of 257.78 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine is sourced from PubChem (CID 146174762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).