trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride

C14H22ClNO — CID 12651711

IUPACtrans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
SMILESCl.O[C@@H]1CCCC[C@@H]1CNCc1ccccc1
InChIInChI=1S/C14H21NO.ClH/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12;/h1-3,6-7,13-16H,4-5,8-11H2;1H/t13-,14-;/m1./s1
InChIKeyAFIRTGXKXRRCBT-DTPOWOMPSA-N
MW255.79 g/mol
LogP2.75
Rot. Bonds4

About trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride

trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 12651711) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
PubChem CID12651711
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Nametrans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
SMILESCl.O[C@@H]1CCCC[C@@H]1CNCc1ccccc1
InChIInChI=1S/C14H21NO.ClH/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12;/h1-3,6-7,13-16H,4-5,8-11H2;1H/t13-,14-;/m1./s1
InChIKeyAFIRTGXKXRRCBT-DTPOWOMPSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
N-benzyl-1-(2-ethylcyclohexyl)methanamine
CID 130974356
4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 64912854
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 66409208
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride (CID 12651711) is trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride is Cl.O[C@@H]1CCCC[C@@H]1CNCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is AFIRTGXKXRRCBT-DTPOWOMPSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12;/h1-3,6-7,13-16H,4-5,8-11H2;1H/t13-,14-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride?
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 12651711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).