trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol

C14H21NO — CID 2733721

IUPACtrans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1CNCc1ccccc1
InChIInChI=1S/C14H21NO/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/t13-,14-/m0/s1
InChIKeyYJLQAIUYPBPBBG-KBPBESRZSA-N
MW219.33 g/mol
LogP2.33
Rot. Bonds4

About trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol

trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol (PubChem CID 2733721) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
PubChem CID2733721
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1CNCc1ccccc1
InChIInChI=1S/C14H21NO/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/t13-,14-/m0/s1
InChIKeyYJLQAIUYPBPBBG-KBPBESRZSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 64912854
N-benzyl-1-(2-ethylcyclohexyl)methanamine
CID 130974356
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-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol (CID 2733721) is trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol is O[C@H]1CCCC[C@H]1CNCc1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol?
The InChIKey is YJLQAIUYPBPBBG-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21NO/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/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol?
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 2733721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).