3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline

C17H19FN2 — CID 115980030

IUPAC3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCc1ccc2c(c1)CCCN2Cc1cc(N)cc(F)c1
InChIInChI=1S/C17H19FN2/c1-12-4-5-17-14(7-12)3-2-6-20(17)11-13-8-15(18)10-16(19)9-13/h4-5,7-10H,2-3,6,11,19H2,1H3
InChIKeyRXOHOLKNRMRKHU-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.67
Rot. Bonds2

About 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline

3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (PubChem CID 115980030) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
PubChem CID115980030
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCc1ccc2c(c1)CCCN2Cc1cc(N)cc(F)c1
InChIInChI=1S/C17H19FN2/c1-12-4-5-17-14(7-12)3-2-6-20(17)11-13-8-15(18)10-16(19)9-13/h4-5,7-10H,2-3,6,11,19H2,1H3
InChIKeyRXOHOLKNRMRKHU-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405916
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194542
potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide
CID 63702785
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
6-methyl-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydro-2H-quinoline
CID 61365081
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-en-1-amine
CID 103069126
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carbohydrazide
CID 63570279
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
N-methyl-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-2-amine
CID 62471854

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The IUPAC name of 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (CID 115980030) is 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is Cc1ccc2c(c1)CCCN2Cc1cc(N)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The InChIKey is RXOHOLKNRMRKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-4-5-17-14(7-12)3-2-6-20(17)11-13-8-15(18)10-16(19)9-13/h4-5,7-10H,2-3,6,11,19H2,1H3.
What are the key properties of 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is sourced from PubChem (CID 115980030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).