N-(cyclopropylmethyl)-2-fluoro-3-methylaniline

C11H14FN — CID 130165755

IUPACN-(cyclopropylmethyl)-2-fluoro-3-methylaniline
SMILESCc1cccc(NCC2CC2)c1F
InChIInChI=1S/C11H14FN/c1-8-3-2-4-10(11(8)12)13-7-9-5-6-9/h2-4,9,13H,5-7H2,1H3
InChIKeySUSOTJSNMCIRCP-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.96
Rot. Bonds3

About N-(cyclopropylmethyl)-2-fluoro-3-methylaniline

N-(cyclopropylmethyl)-2-fluoro-3-methylaniline (PubChem CID 130165755) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-3-methylaniline
PubChem CID130165755
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-3-methylaniline
SMILESCc1cccc(NCC2CC2)c1F
InChIInChI=1S/C11H14FN/c1-8-3-2-4-10(11(8)12)13-7-9-5-6-9/h2-4,9,13H,5-7H2,1H3
InChIKeySUSOTJSNMCIRCP-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-2,3-difluoroaniline
CID 61076617
N-(cyclobutylmethyl)-2,3-dimethylaniline
CID 65458031
3-(cyclopropylmethylamino)-2-fluorobenzaldehyde
CID 146361910
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
CID 114258327
N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130589219
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3-difluoroaniline
CID 103276631
1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
CID 130497270
3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 107629684
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-3-methylaniline?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-3-methylaniline (CID 130165755) is N-(cyclopropylmethyl)-2-fluoro-3-methylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-3-methylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-3-methylaniline is Cc1cccc(NCC2CC2)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-3-methylaniline?
The InChIKey is SUSOTJSNMCIRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-3-2-4-10(11(8)12)13-7-9-5-6-9/h2-4,9,13H,5-7H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-3-methylaniline?
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline has a molecular weight of 179.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-3-methylaniline is sourced from PubChem (CID 130165755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).