N-(3-fluoro-4-methoxyphenyl)cycloheptanamine

C14H20FNO — CID 43380636

IUPACN-(3-fluoro-4-methoxyphenyl)cycloheptanamine
SMILESCOc1ccc(NC2CCCCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-17-14-9-8-12(10-13(14)15)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyKVJDLUHIZUMFES-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.97
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)cycloheptanamine

N-(3-fluoro-4-methoxyphenyl)cycloheptanamine (PubChem CID 43380636) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)cycloheptanamine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)cycloheptanamine
PubChem CID43380636
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(3-fluoro-4-methoxyphenyl)cycloheptanamine
SMILESCOc1ccc(NC2CCCCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-17-14-9-8-12(10-13(14)15)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyKVJDLUHIZUMFES-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084024
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
1-cyclohexyl-3-(3-fluoro-4-methoxyphenyl)thiourea
CID 115583535
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
1-cyclopentyl-3-(3-fluoro-4-methoxyphenyl)thiourea
CID 115605177
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117101
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)cycloheptanamine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)cycloheptanamine (CID 43380636) is N-(3-fluoro-4-methoxyphenyl)cycloheptanamine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)cycloheptanamine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)cycloheptanamine is COc1ccc(NC2CCCCCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)cycloheptanamine?
The InChIKey is KVJDLUHIZUMFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-14-9-8-12(10-13(14)15)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)cycloheptanamine?
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine has a molecular weight of 237.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)cycloheptanamine is sourced from PubChem (CID 43380636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).