N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine

C19H30FN — CID 114350172

IUPACN-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCc1cc(F)ccc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C19H30FN/c1-14(2)21-13-18-8-6-4-5-7-17(18)12-16-9-10-19(20)11-15(16)3/h9-11,14,17-18,21H,4-8,12-13H2,1-3H3
InChIKeyLAOKFROLCYEDIR-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.87
Rot. Bonds5

About N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 114350172) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID114350172
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCc1cc(F)ccc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C19H30FN/c1-14(2)21-13-18-8-6-4-5-7-17(18)12-16-9-10-19(20)11-15(16)3/h9-11,14,17-18,21H,4-8,12-13H2,1-3H3
InChIKeyLAOKFROLCYEDIR-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-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034903
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103051836
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033901
N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 114346179
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine (CID 114350172) is N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine is Cc1cc(F)ccc1CC1CCCCCC1CNC(C)C.
What is the InChIKey of N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is LAOKFROLCYEDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-14(2)21-13-18-8-6-4-5-7-17(18)12-16-9-10-19(20)11-15(16)3/h9-11,14,17-18,21H,4-8,12-13H2,1-3H3.
What are the key properties of N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[2-[(4-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-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 114350172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).