[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol

C13H19BrN2O — CID 104777217

IUPAC[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccncc2Br)CCCCC1
InChIInChI=1S/C13H19BrN2O/c14-11-8-15-7-4-12(11)16-9-13(10-17)5-2-1-3-6-13/h4,7-8,17H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyURIBYFUSDJWBQT-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.20
Rot. Bonds4

About [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol

[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol (PubChem CID 104777217) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
PubChem CID104777217
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccncc2Br)CCCCC1
InChIInChI=1S/C13H19BrN2O/c14-11-8-15-7-4-12(11)16-9-13(10-17)5-2-1-3-6-13/h4,7-8,17H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyURIBYFUSDJWBQT-UHFFFAOYSA-N
XLogP3.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
CID 103968372
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine
CID 114759206
[1-[[(3-fluoro-4-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 164657514
[1-[(pyrazin-2-ylamino)methyl]cyclopentyl]methanol
CID 115360623
3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 104925280
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
2-bromo-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114881316
[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol
CID 116783182
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
4-bromo-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylpyridazin-3-one
CID 115682958
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol (CID 104777217) is [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol is OCC1(CNc2ccncc2Br)CCCCC1.
What is the InChIKey of [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is URIBYFUSDJWBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-11-8-15-7-4-12(11)16-9-13(10-17)5-2-1-3-6-13/h4,7-8,17H,1-3,5-6,9-10H2,(H,15,16).
What are the key properties of [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 299.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 104777217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).