1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol

C15H22BrNO — CID 81359958

IUPAC1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
SMILESC[C@@H](NCC1(O)CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-12(13-5-7-14(16)8-6-13)17-11-15(18)9-3-2-4-10-15/h5-8,12,17-18H,2-4,9-11H2,1H3/t12-/m1/s1
InChIKeyJIHMSRQGNQJIKC-GFCCVEGCSA-N
MW312.25 g/mol
LogP3.79
Rot. Bonds4

About 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol

1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 81359958) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
PubChem CID81359958
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
SMILESC[C@@H](NCC1(O)CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-12(13-5-7-14(16)8-6-13)17-11-15(18)9-3-2-4-10-15/h5-8,12,17-18H,2-4,9-11H2,1H3/t12-/m1/s1
InChIKeyJIHMSRQGNQJIKC-GFCCVEGCSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 104653064
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107365
1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol
CID 110905199

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol (CID 81359958) is 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol is C[C@@H](NCC1(O)CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is JIHMSRQGNQJIKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12(13-5-7-14(16)8-6-13)17-11-15(18)9-3-2-4-10-15/h5-8,12,17-18H,2-4,9-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol?
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 81359958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).