[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol

C18H20BrNO — CID 103781783

IUPAC[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C18H20BrNO/c19-17-6-4-16-10-18(7-5-15(16)9-17)20-11-13-2-1-3-14(8-13)12-21/h1-4,6,8-9,18,20-21H,5,7,10-12H2
InChIKeyBAKBSACNEXEKHJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.59
Rot. Bonds4

About [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol

[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol (PubChem CID 103781783) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol
PubChem CID103781783
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C18H20BrNO/c19-17-6-4-16-10-18(7-5-15(16)9-17)20-11-13-2-1-3-14(8-13)12-21/h1-4,6,8-9,18,20-21H,5,7,10-12H2
InChIKeyBAKBSACNEXEKHJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627799
6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55248067
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625881
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449
3-amino-6-[3-[[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68650505
6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625010
6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627459
6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625332
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
3-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]benzoic acid
CID 103248031
(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
CID 103784050
1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol
CID 65107128

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol (CID 103781783) is [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol is OCc1cccc(CNC2CCc3cc(Br)ccc3C2)c1.
What is the InChIKey of [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is BAKBSACNEXEKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-17-6-4-16-10-18(7-5-15(16)9-17)20-11-13-2-1-3-14(8-13)12-21/h1-4,6,8-9,18,20-21H,5,7,10-12H2.
What are the key properties of [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol?
[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 346.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 103781783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).