(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C17H16ClF2N — CID 107476058

IUPAC(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cc(F)c(F)cc1Cl)C1CCCc2ccccc21
InChIInChI=1S/C17H16ClF2N/c18-14-9-16(20)15(19)8-13(14)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,17H,3,5,7,21H2
InChIKeyRTSYGJQFEMITNU-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.74
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 107476058) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID107476058
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cc(F)c(F)cc1Cl)C1CCCc2ccccc21
InChIInChI=1S/C17H16ClF2N/c18-14-9-16(20)15(19)8-13(14)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,17H,3,5,7,21H2
InChIKeyRTSYGJQFEMITNU-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718085
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80530919
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106881515
2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
CID 65406294
(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65405327
1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63433876
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 103039582
(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 107476058) is (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is NC(c1cc(F)c(F)cc1Cl)C1CCCc2ccccc21.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is RTSYGJQFEMITNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-14-9-16(20)15(19)8-13(14)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,17H,3,5,7,21H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 307.77 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 107476058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).