1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine

C14H19ClFN — CID 114853412

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CCCCCC1
InChIInChI=1S/C14H19ClFN/c15-12-6-5-11(13(16)9-12)10-14(17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,17H2
InChIKeySFUPFEVNCOJSBV-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.07
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine

1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine (PubChem CID 114853412) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
PubChem CID114853412
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CCCCCC1
InChIInChI=1S/C14H19ClFN/c15-12-6-5-11(13(16)9-12)10-14(17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,17H2
InChIKeySFUPFEVNCOJSBV-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
3-[(4-chloro-2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 114861676
1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450124
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
CID 80603906
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
CID 65317862
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine (CID 114853412) is 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine is NC1(Cc2ccc(Cl)cc2F)CCCCCC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine?
The InChIKey is SFUPFEVNCOJSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-12-6-5-11(13(16)9-12)10-14(17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,17H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine?
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 4.07, 2 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)methyl]cycloheptan-1-amine is sourced from PubChem (CID 114853412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).