2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline

C15H15ClFNS — CID 114067735

IUPAC2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cccc(CCl)c1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H15ClFNS/c16-9-11-3-1-5-14(17)15(11)18(12-6-7-12)10-13-4-2-8-19-13/h1-5,8,12H,6-7,9-10H2
InChIKeyLRYCZWHMOSZZKB-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.80
Rot. Bonds5

About 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline

2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 114067735) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID114067735
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cccc(CCl)c1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H15ClFNS/c16-9-11-3-1-5-14(17)15(11)18(12-6-7-12)10-13-4-2-8-19-13/h1-5,8,12H,6-7,9-10H2
InChIKeyLRYCZWHMOSZZKB-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 114067045
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
CID 112613704
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 63368648
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62863221
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 114067735) is 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline is Fc1cccc(CCl)c1N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is LRYCZWHMOSZZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c16-9-11-3-1-5-14(17)15(11)18(12-6-7-12)10-13-4-2-8-19-13/h1-5,8,12H,6-7,9-10H2.
What are the key properties of 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline?
2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 295.81 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 114067735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).