1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol

C14H21BrN2O — CID 104813045

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2O/c1-2-16-12-5-7-14(18,8-6-12)9-13-4-3-11(15)10-17-13/h3-4,10,12,16,18H,2,5-9H2,1H3
InChIKeyOFSAHXNDVFPFNV-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.67
Rot. Bonds4

About 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol

1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol (PubChem CID 104813045) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
PubChem CID104813045
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2O/c1-2-16-12-5-7-14(18,8-6-12)9-13-4-3-11(15)10-17-13/h3-4,10,12,16,18H,2,5-9H2,1H3
InChIKeyOFSAHXNDVFPFNV-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79738887
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
4-[(5-bromo-2-pyridinyl)methyl]oxepan-4-ol
CID 104802124
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 79740612
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 105410690
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 104801675
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79740383
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol (CID 104813045) is 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol is CCNC1CCC(O)(Cc2ccc(Br)cn2)CC1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The InChIKey is OFSAHXNDVFPFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-16-12-5-7-14(18,8-6-12)9-13-4-3-11(15)10-17-13/h3-4,10,12,16,18H,2,5-9H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol has a molecular weight of 313.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 104813045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).