2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C17H26BrNO2 — CID 64929093

IUPAC2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccc(Br)cc1CNCC1CCCCC1O
InChIInChI=1S/C17H26BrNO2/c1-2-9-21-17-8-7-15(18)10-14(17)12-19-11-13-5-3-4-6-16(13)20/h7-8,10,13,16,19-20H,2-6,9,11-12H2,1H3
InChIKeyNEEDNBHZEDTDCK-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.88
Rot. Bonds7

About 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64929093) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64929093
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccc(Br)cc1CNCC1CCCCC1O
InChIInChI=1S/C17H26BrNO2/c1-2-9-21-17-8-7-15(18)10-14(17)12-19-11-13-5-3-4-6-16(13)20/h7-8,10,13,16,19-20H,2-6,9,11-12H2,1H3
InChIKeyNEEDNBHZEDTDCK-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113227437
2-[[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927044
N-[(5-bromo-2-propoxyphenyl)methyl]-1-cyclohex-3-en-1-ylmethanamine
CID 63478976
N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29224673
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295157
N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241663
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 62524190
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910425

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 64929093) is 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol is CCCOc1ccc(Br)cc1CNCC1CCCCC1O.
What is the InChIKey of 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is NEEDNBHZEDTDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-2-9-21-17-8-7-15(18)10-14(17)12-19-11-13-5-3-4-6-16(13)20/h7-8,10,13,16,19-20H,2-6,9,11-12H2,1H3.
What are the key properties of 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 356.30 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).