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

C17H25F2N — CID 65091712

IUPACN-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H25F2N/c1-12(2)13-4-3-5-16(9-7-13)20-11-14-6-8-15(18)10-17(14)19/h6,8,10,12-13,16,20H,3-5,7,9,11H2,1-2H3
InChIKeyNKAWRWAYEGMDMG-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.66
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091712) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091712
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H25F2N/c1-12(2)13-4-3-5-16(9-7-13)20-11-14-6-8-15(18)10-17(14)19/h6,8,10,12-13,16,20H,3-5,7,9,11H2,1-2H3
InChIKeyNKAWRWAYEGMDMG-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
N-[(2,4-difluorophenyl)methyl]-1-oxothian-4-amine
CID 55048533
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine (CID 65091712) is N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NCc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is NKAWRWAYEGMDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-12(2)13-4-3-5-16(9-7-13)20-11-14-6-8-15(18)10-17(14)19/h6,8,10,12-13,16,20H,3-5,7,9,11H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.66, 4 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-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).