(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol

C18H29NO2 — CID 25255801

IUPAC(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol
SMILESCC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-2-15(12-19)18(20)16-9-6-10-17(11-16)21-13-14-7-4-3-5-8-14/h6,9-11,14-15,18,20H,2-5,7-8,12-13,19H2,1H3/t15-,18-/m1/s1
InChIKeySVFWVHULYVAWDJ-CRAIPNDOSA-N
MW291.44 g/mol
LogP3.66
Rot. Bonds7

About (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol

(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol (PubChem CID 25255801) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol
PubChem CID25255801
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol
SMILESCC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-2-15(12-19)18(20)16-9-6-10-17(11-16)21-13-14-7-4-3-5-8-14/h6,9-11,14-15,18,20H,2-5,7-8,12-13,19H2,1H3/t15-,18-/m1/s1
InChIKeySVFWVHULYVAWDJ-CRAIPNDOSA-N
XLogP3.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol?
The IUPAC name of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol (CID 25255801) is (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol.
What is the SMILES notation for (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol?
The canonical SMILES for (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol is CC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol?
The InChIKey is SVFWVHULYVAWDJ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-15(12-19)18(20)16-9-6-10-17(11-16)21-13-14-7-4-3-5-8-14/h6,9-11,14-15,18,20H,2-5,7-8,12-13,19H2,1H3/t15-,18-/m1/s1.
What are the key properties of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol?
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol is sourced from PubChem (CID 25255801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).