N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine

C14H19ClFN — CID 4720325

IUPACN-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
SMILESFc1cccc(Cl)c1CNC1CCCCCC1
InChIInChI=1S/C14H19ClFN/c15-13-8-5-9-14(16)12(13)10-17-11-6-3-1-2-4-7-11/h5,8-9,11,17H,1-4,6-7,10H2
InChIKeyVQXHXEMTYCOMMU-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.29
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine

N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine (PubChem CID 4720325) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
PubChem CID4720325
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
SMILESFc1cccc(Cl)c1CNC1CCCCCC1
InChIInChI=1S/C14H19ClFN/c15-13-8-5-9-14(16)12(13)10-17-11-6-3-1-2-4-7-11/h5,8-9,11,17H,1-4,6-7,10H2
InChIKeyVQXHXEMTYCOMMU-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine
CID 66537056
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294391
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine (CID 4720325) is N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine is Fc1cccc(Cl)c1CNC1CCCCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine?
The InChIKey is VQXHXEMTYCOMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-13-8-5-9-14(16)12(13)10-17-11-6-3-1-2-4-7-11/h5,8-9,11,17H,1-4,6-7,10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine?
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine has a molecular weight of 255.76 g/mol, XLogP of 4.29, 3 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]cycloheptanamine is sourced from PubChem (CID 4720325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).