1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine

C14H21ClFN — CID 114860033

IUPAC1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine
SMILESCCCC(CCCc1ccc(Cl)cc1F)NC
InChIInChI=1S/C14H21ClFN/c1-3-5-13(17-2)7-4-6-11-8-9-12(15)10-14(11)16/h8-10,13,17H,3-7H2,1-2H3
InChIKeyIMDAUXHRSNRAPI-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.19
Rot. Bonds7

About 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine

1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine (PubChem CID 114860033) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine
PubChem CID114860033
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine
SMILESCCCC(CCCc1ccc(Cl)cc1F)NC
InChIInChI=1S/C14H21ClFN/c1-3-5-13(17-2)7-4-6-11-8-9-12(15)10-14(11)16/h8-10,13,17H,3-7H2,1-2H3
InChIKeyIMDAUXHRSNRAPI-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039
N-[(4-chloro-2-fluorophenyl)methyl]hexan-3-amine
CID 114842256
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(4-bromo-5-methylhexyl)-4-chloro-2-fluorobenzene
CID 114860163
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
4-bromo-1-(4-bromoheptyl)-2-fluorobenzene
CID 64508963
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine (CID 114860033) is 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine is CCCC(CCCc1ccc(Cl)cc1F)NC.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine?
The InChIKey is IMDAUXHRSNRAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-3-5-13(17-2)7-4-6-11-8-9-12(15)10-14(11)16/h8-10,13,17H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine?
1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine has a molecular weight of 257.78 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine is sourced from PubChem (CID 114860033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).