N-benzyl-N-(4-fluorophenyl)cycloheptanamine

C20H24FN — CID 67762250

IUPACN-benzyl-N-(4-fluorophenyl)cycloheptanamine
SMILESFc1ccc(N(Cc2ccccc2)C2CCCCCC2)cc1
InChIInChI=1S/C20H24FN/c21-18-12-14-20(15-13-18)22(16-17-8-4-3-5-9-17)19-10-6-1-2-7-11-19/h3-5,8-9,12-15,19H,1-2,6-7,10-11,16H2
InChIKeyUJZXYFZNYMMKRN-UHFFFAOYSA-N
MW297.42 g/mol
LogP5.56
Rot. Bonds4

About N-benzyl-N-(4-fluorophenyl)cycloheptanamine

N-benzyl-N-(4-fluorophenyl)cycloheptanamine (PubChem CID 67762250) has the molecular formula C20H24FN and a molecular weight of 297.42 g/mol. Its IUPAC name is N-benzyl-N-(4-fluorophenyl)cycloheptanamine.

Molecular Properties

Compound NameN-benzyl-N-(4-fluorophenyl)cycloheptanamine
PubChem CID67762250
Molecular FormulaC20H24FN
Molecular Weight297.42 g/mol
Exact Mass297.19
IUPAC NameN-benzyl-N-(4-fluorophenyl)cycloheptanamine
SMILESFc1ccc(N(Cc2ccccc2)C2CCCCCC2)cc1
InChIInChI=1S/C20H24FN/c21-18-12-14-20(15-13-18)22(16-17-8-4-3-5-9-17)19-10-6-1-2-7-11-19/h3-5,8-9,12-15,19H,1-2,6-7,10-11,16H2
InChIKeyUJZXYFZNYMMKRN-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline
CID 164539589
N-benzyl-N-(trifluoromethyl)cyclohexanamine
CID 175316581
N-benzyl-N-bromocyclohexanamine
CID 140997611
1-benzyl-1-cyclohexylhydrazine;hydrochloride
CID 3028713
methyl 4-[(N-cyclohexylanilino)methyl]benzoate
CID 174449163
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
N,N-dibenzylcyclobutanamine
CID 70822586
1-benzyl-1-(4-fluorophenyl)hydrazine
CID 23043086
N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine
CID 10380151
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-fluorophenyl)cycloheptanamine?
The IUPAC name of N-benzyl-N-(4-fluorophenyl)cycloheptanamine (CID 67762250) is N-benzyl-N-(4-fluorophenyl)cycloheptanamine.
What is the SMILES notation for N-benzyl-N-(4-fluorophenyl)cycloheptanamine?
The canonical SMILES for N-benzyl-N-(4-fluorophenyl)cycloheptanamine is Fc1ccc(N(Cc2ccccc2)C2CCCCCC2)cc1.
What is the InChIKey of N-benzyl-N-(4-fluorophenyl)cycloheptanamine?
The InChIKey is UJZXYFZNYMMKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN/c21-18-12-14-20(15-13-18)22(16-17-8-4-3-5-9-17)19-10-6-1-2-7-11-19/h3-5,8-9,12-15,19H,1-2,6-7,10-11,16H2.
What are the key properties of N-benzyl-N-(4-fluorophenyl)cycloheptanamine?
N-benzyl-N-(4-fluorophenyl)cycloheptanamine has a molecular weight of 297.42 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-fluorophenyl)cycloheptanamine is sourced from PubChem (CID 67762250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).