(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol

C17H27NO — CID 11565162

IUPAC(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)NCc2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H27NO/c1-13-9-10-15(16(19)11-13)17(2,3)18-12-14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/t13-,15-,16-/m1/s1
InChIKeyXKSSDCSYKIZORR-FVQBIDKESA-N
MW261.41 g/mol
LogP3.35
Rot. Bonds4

About (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 11565162) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID11565162
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)NCc2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H27NO/c1-13-9-10-15(16(19)11-13)17(2,3)18-12-14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/t13-,15-,16-/m1/s1
InChIKeyXKSSDCSYKIZORR-FVQBIDKESA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol (CID 11565162) is (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)NCc2ccccc2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is XKSSDCSYKIZORR-FVQBIDKESA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-10-15(16(19)11-13)17(2,3)18-12-14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/t13-,15-,16-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11565162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).