N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine

C19H30FN — CID 105376313

IUPACN-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C19H30FN/c1-14(2)21-13-17-8-6-4-5-7-16(17)11-18-12-19(20)10-9-15(18)3/h9-10,12,14,16-17,21H,4-8,11,13H2,1-3H3
InChIKeyAZXTXHUDZWNASB-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.87
Rot. Bonds5

About N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 105376313) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID105376313
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C19H30FN/c1-14(2)21-13-17-8-6-4-5-7-16(17)11-18-12-19(20)10-9-15(18)3/h9-10,12,14,16-17,21H,4-8,11,13H2,1-3H3
InChIKeyAZXTXHUDZWNASB-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103051836
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034903
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine (CID 105376313) is N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine is Cc1ccc(F)cc1CC1CCCCCC1CNC(C)C.
What is the InChIKey of N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is AZXTXHUDZWNASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-14(2)21-13-17-8-6-4-5-7-16(17)11-18-12-19(20)10-9-15(18)3/h9-10,12,14,16-17,21H,4-8,11,13H2,1-3H3.
What are the key properties of N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 291.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 105376313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).