N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C18H19ClFN — CID 63772616

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESFc1ccc(CNCC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H19ClFN/c19-17-10-13(8-9-18(17)20)11-21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7-10,15,21H,3,5-6,11-12H2
InChIKeyFLJKJUTXSKTKAK-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.69
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 63772616) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID63772616
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESFc1ccc(CNCC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H19ClFN/c19-17-10-13(8-9-18(17)20)11-21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7-10,15,21H,3,5-6,11-12H2
InChIKeyFLJKJUTXSKTKAK-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 103039582
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672
N-[(2-ethylphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64681155
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 54878651
2-bromo-6-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107611468

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 63772616) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is Fc1ccc(CNCC2CCCc3ccccc32)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is FLJKJUTXSKTKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-17-10-13(8-9-18(17)20)11-21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7-10,15,21H,3,5-6,11-12H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 303.81 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 63772616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).