N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine

C16H24FNO — CID 65084024

IUPACN-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(NC2CCCC(C)(C)CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-16(2)9-4-5-12(8-10-16)18-13-6-7-15(19-3)14(17)11-13/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyYCMBZNMRJDPREF-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.61
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine

N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65084024) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65084024
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(NC2CCCC(C)(C)CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-16(2)9-4-5-12(8-10-16)18-13-6-7-15(19-3)14(17)11-13/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyYCMBZNMRJDPREF-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.61
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

N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
N-Methyl-4-anisidine
CID 22250
N-Allyl-P-anisidine,tech.
CID 294496
N-Ethyl-4-methoxybenzenamine
CID 11804947
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284
(3,4-Difluorophenyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846764
N-benzyl-4-ethoxyaniline
CID 770112
N-(4-Methoxyphenyl)retinamide
CID 6439546
4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline
CID 855075
(4-Fluorophenyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2847571
(3-Fluorophenyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2848238

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine (CID 65084024) is N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine is COc1ccc(NC2CCCC(C)(C)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is YCMBZNMRJDPREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2)9-4-5-12(8-10-16)18-13-6-7-15(19-3)14(17)11-13/h6-7,11-12,18H,4-5,8-10H2,1-3H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 4.61, 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)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65084024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).