N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine

C16H23F2N — CID 65083467

IUPACN-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2N/c1-16(2)8-3-4-14(7-9-16)19-11-12-5-6-13(17)10-15(12)18/h5-6,10,14,19H,3-4,7-9,11H2,1-2H3
InChIKeyCXLOWKDEUPKTPY-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.41
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine

N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083467) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
PubChem CID65083467
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2N/c1-16(2)8-3-4-14(7-9-16)19-11-12-5-6-13(17)10-15(12)18/h5-6,10,14,19H,3-4,7-9,11H2,1-2H3
InChIKeyCXLOWKDEUPKTPY-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
4-[[(3,3-dimethylcyclohexyl)amino]methyl]-3-fluorobenzonitrile
CID 81422115
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
N-[(2,4-difluorophenyl)methyl]-1-oxothian-4-amine
CID 55048533
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895902
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine (CID 65083467) is N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(NCc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
The InChIKey is CXLOWKDEUPKTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-16(2)8-3-4-14(7-9-16)19-11-12-5-6-13(17)10-15(12)18/h5-6,10,14,19H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).