N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

C15H21F2N — CID 66024265

IUPACN-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H21F2N/c1-11(2)9-18-10-15(6-7-15)8-12-4-3-5-13(16)14(12)17/h3-5,11,18H,6-10H2,1-2H3
InChIKeyJSGXAGDDAWOEAP-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.53
Rot. Bonds6

About N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 66024265) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID66024265
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H21F2N/c1-11(2)9-18-10-15(6-7-15)8-12-4-3-5-13(16)14(12)17/h3-5,11,18H,6-10H2,1-2H3
InChIKeyJSGXAGDDAWOEAP-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 114933661
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,3-difluorobenzene
CID 66048663
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
N-[[1-[(3-chloro-4-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024917
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (CID 66024265) is N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2cccc(F)c2F)CC1.
What is the InChIKey of N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JSGXAGDDAWOEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(2)9-18-10-15(6-7-15)8-12-4-3-5-13(16)14(12)17/h3-5,11,18H,6-10H2,1-2H3.
What are the key properties of N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66024265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).