1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C17H18FN5O — CID 18088323

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nnnn2-c2ccccc2)cc1F
InChIInChI=1S/C17H18FN5O/c1-22(11-13-8-9-16(24-2)15(18)10-13)12-17-19-20-21-23(17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyILIAXFNIHBGUGQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.44
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 18088323) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID18088323
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nnnn2-c2ccccc2)cc1F
InChIInChI=1S/C17H18FN5O/c1-22(11-13-8-9-16(24-2)15(18)10-13)12-17-19-20-21-23(17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyILIAXFNIHBGUGQ-UHFFFAOYSA-N
XLogP2.44
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088026
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903
N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 26625051
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 17489842
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-phenyltetrazol-5-yl)butanamide
CID 21295539
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 18088323) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is COc1ccc(CN(C)Cc2nnnn2-c2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is ILIAXFNIHBGUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-22(11-13-8-9-16(24-2)15(18)10-13)12-17-19-20-21-23(17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 327.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 18088323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).