1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine

C10H13FN2 — CID 60783209

IUPAC1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1NCC1CC1
InChIInChI=1S/C10H13FN2/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6,12H2
InChIKeyFHTUDRHLZZSTPV-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.23
Rot. Bonds3

About 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine

1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine (PubChem CID 60783209) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
PubChem CID60783209
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1NCC1CC1
InChIInChI=1S/C10H13FN2/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6,12H2
InChIKeyFHTUDRHLZZSTPV-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2,3-difluoroaniline
CID 61076617
3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
CID 114258327
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol
CID 63295068
3-chloro-1-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 113458634
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276
3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine
CID 115127179
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine (CID 60783209) is 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine is Nc1c(F)cccc1NCC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is FHTUDRHLZZSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6,12H2.
What are the key properties of 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine?
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 180.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 60783209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).