2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol

C14H20BrNO — CID 107416951

IUPAC2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
SMILESCC1CCCC1CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-10-3-2-4-12(10)9-16-8-11-5-6-14(17)13(15)7-11/h5-7,10,12,16-17H,2-4,8-9H2,1H3
InChIKeyLPKNXDOIHLNFHC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.68
Rot. Bonds4

About 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol

2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol (PubChem CID 107416951) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
PubChem CID107416951
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
SMILESCC1CCCC1CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-10-3-2-4-12(10)9-16-8-11-5-6-14(17)13(15)7-11/h5-7,10,12,16-17H,2-4,8-9H2,1H3
InChIKeyLPKNXDOIHLNFHC-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
CID 65117949
2-bromo-4-[(oxolan-2-ylmethylamino)methyl]phenol
CID 60657621
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
2-bromo-4-[(thian-2-ylmethylamino)methyl]phenol
CID 80599861
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol (CID 107416951) is 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol is CC1CCCC1CNCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol?
The InChIKey is LPKNXDOIHLNFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-3-2-4-12(10)9-16-8-11-5-6-14(17)13(15)7-11/h5-7,10,12,16-17H,2-4,8-9H2,1H3.
What are the key properties of 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol?
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol has a molecular weight of 298.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 107416951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).