3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol

C14H22BrNO — CID 111470613

IUPAC3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-2-3-12(8-9-17)10-16-11-13-4-6-14(15)7-5-13/h4-7,12,16-17H,2-3,8-11H2,1H3
InChIKeyUUPHJDUUZODTAW-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.34
Rot. Bonds8

About 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol

3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol (PubChem CID 111470613) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
PubChem CID111470613
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-2-3-12(8-9-17)10-16-11-13-4-6-14(15)7-5-13/h4-7,12,16-17H,2-3,8-11H2,1H3
InChIKeyUUPHJDUUZODTAW-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
CID 113328387
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 103707888
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
3-[[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]hexan-1-ol
CID 103707777
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol (CID 111470613) is 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1ccc(Br)cc1.
What is the InChIKey of 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol?
The InChIKey is UUPHJDUUZODTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-2-3-12(8-9-17)10-16-11-13-4-6-14(15)7-5-13/h4-7,12,16-17H,2-3,8-11H2,1H3.
What are the key properties of 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol?
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol has a molecular weight of 300.24 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 111470613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).