2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol

C14H22BrNO2 — CID 114145275

IUPAC2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
SMILESCCCC(CCO)CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-2-3-11(6-7-17)9-16-10-12-4-5-14(18)13(15)8-12/h4-5,8,11,16-18H,2-3,6-7,9-10H2,1H3
InChIKeyMWHCQEKORUDDCW-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.04
Rot. Bonds8

About 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol

2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol (PubChem CID 114145275) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
PubChem CID114145275
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
SMILESCCCC(CCO)CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-2-3-11(6-7-17)9-16-10-12-4-5-14(18)13(15)8-12/h4-5,8,11,16-18H,2-3,6-7,9-10H2,1H3
InChIKeyMWHCQEKORUDDCW-UHFFFAOYSA-N
XLogP3.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(2-methylpentylamino)methyl]phenol
CID 115908134
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]hexan-1-ol
CID 103707777
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol
CID 103707845
3-[[(4-methoxy-3-nitrophenyl)methylamino]methyl]hexan-1-ol
CID 103707788

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol (CID 114145275) is 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol is CCCC(CCO)CNCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol?
The InChIKey is MWHCQEKORUDDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-2-3-11(6-7-17)9-16-10-12-4-5-14(18)13(15)8-12/h4-5,8,11,16-18H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol?
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol has a molecular weight of 316.24 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol is sourced from PubChem (CID 114145275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).