N-(cyclopropylmethyl)-2,3-difluoroaniline

C10H11F2N — CID 61076617

IUPACN-(cyclopropylmethyl)-2,3-difluoroaniline
SMILESFc1cccc(NCC2CC2)c1F
InChIInChI=1S/C10H11F2N/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6H2
InChIKeyNXPACNQUIMYPMY-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.79
Rot. Bonds3

About N-(cyclopropylmethyl)-2,3-difluoroaniline

N-(cyclopropylmethyl)-2,3-difluoroaniline (PubChem CID 61076617) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3-difluoroaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3-difluoroaniline
PubChem CID61076617
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC NameN-(cyclopropylmethyl)-2,3-difluoroaniline
SMILESFc1cccc(NCC2CC2)c1F
InChIInChI=1S/C10H11F2N/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6H2
InChIKeyNXPACNQUIMYPMY-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276
3-(cyclopropylmethylamino)-2-fluorobenzaldehyde
CID 146361910
3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
CID 114258327
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3-difluoroaniline
CID 103276631
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one
CID 106492449
2-fluoro-6-[(3-methylcyclopentyl)methylamino]benzenecarbothioamide
CID 107413430
3-N-(cyclopropylmethyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80770395
N-[(4-tert-butylcyclohexyl)methyl]-2,3,5-trifluoroaniline
CID 104575070

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3-difluoroaniline?
The IUPAC name of N-(cyclopropylmethyl)-2,3-difluoroaniline (CID 61076617) is N-(cyclopropylmethyl)-2,3-difluoroaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3-difluoroaniline?
The canonical SMILES for N-(cyclopropylmethyl)-2,3-difluoroaniline is Fc1cccc(NCC2CC2)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-2,3-difluoroaniline?
The InChIKey is NXPACNQUIMYPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6H2.
What are the key properties of N-(cyclopropylmethyl)-2,3-difluoroaniline?
N-(cyclopropylmethyl)-2,3-difluoroaniline has a molecular weight of 183.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3-difluoroaniline is sourced from PubChem (CID 61076617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).