N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine

C16H23F2N — CID 62725796

IUPACN-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cc(F)ccc2F)CCCC1
InChIInChI=1S/C16H23F2N/c1-12(2)19-11-16(7-3-4-8-16)10-13-9-14(17)5-6-15(13)18/h5-6,9,12,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyBLBHHGVPZYITTR-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.07
Rot. Bonds5

About N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 62725796) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID62725796
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cc(F)ccc2F)CCCC1
InChIInChI=1S/C16H23F2N/c1-12(2)19-11-16(7-3-4-8-16)10-13-9-14(17)5-6-15(13)18/h5-6,9,12,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyBLBHHGVPZYITTR-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 105374964
N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62725191
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718189
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine (CID 62725796) is N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(Cc2cc(F)ccc2F)CCCC1.
What is the InChIKey of N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is BLBHHGVPZYITTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-12(2)19-11-16(7-3-4-8-16)10-13-9-14(17)5-6-15(13)18/h5-6,9,12,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).