5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline

C17H19FN2 — CID 118355580

IUPAC5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline
SMILESNc1cc(C(NCC2CC2)c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2/c18-15-9-8-14(10-16(15)19)17(20-11-12-6-7-12)13-4-2-1-3-5-13/h1-5,8-10,12,17,20H,6-7,11,19H2
InChIKeyFPRYBVCEABGRKM-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.50
Rot. Bonds5

About 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline

5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline (PubChem CID 118355580) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline
PubChem CID118355580
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline
SMILESNc1cc(C(NCC2CC2)c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2/c18-15-9-8-14(10-16(15)19)17(20-11-12-6-7-12)13-4-2-1-3-5-13/h1-5,8-10,12,17,20H,6-7,11,19H2
InChIKeyFPRYBVCEABGRKM-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.50
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-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
(R)-N-[(S)-(3-amino-4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 118355988
N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide
CID 144916408
N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine
CID 144916276
1-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665857
N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine
CID 144916353
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
1-[2-(3-amino-1,2-benzoxazol-5-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
CID 159560625
[(S)-(3,4-difluorophenyl)-phenylmethyl]hydrazine
CID 124596469
1-(4-aminoquinazolin-6-yl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665806
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine
CID 67996840
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline?
The IUPAC name of 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline (CID 118355580) is 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline.
What is the SMILES notation for 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline?
The canonical SMILES for 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline is Nc1cc(C(NCC2CC2)c2ccccc2)ccc1F.
What is the InChIKey of 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline?
The InChIKey is FPRYBVCEABGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-9-8-14(10-16(15)19)17(20-11-12-6-7-12)13-4-2-1-3-5-13/h1-5,8-10,12,17,20H,6-7,11,19H2.
What are the key properties of 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline?
5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline has a molecular weight of 270.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline is sourced from PubChem (CID 118355580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).