(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane

C18H31NO2 — CID 143785909

IUPAC(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
SMILESCC.NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO2.C2H6/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;1-2/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1-2H3/t16-;/m1./s1
InChIKeyHABURLNPZSPDNG-PKLMIRHRSA-N
MW293.45 g/mol
LogP4.05
Rot. Bonds6

About (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane

(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane (PubChem CID 143785909) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane.

Molecular Properties

Compound Name(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
PubChem CID143785909
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
SMILESCC.NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO2.C2H6/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;1-2/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1-2H3/t16-;/m1./s1
InChIKeyHABURLNPZSPDNG-PKLMIRHRSA-N
XLogP4.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol
CID 25256210
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
3-amino-1-[3-(oxan-3-ylmethoxy)phenyl]propan-1-ol
CID 123649469
3-amino-1-[3-[(1-oxothian-4-yl)methoxy]phenyl]propan-1-ol
CID 90405447
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine
CID 143785986
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
CID 172583865
CID 172583865
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
CID 157299159

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane?
The IUPAC name of (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane (CID 143785909) is (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane.
What is the SMILES notation for (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane?
The canonical SMILES for (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane is CC.NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane?
The InChIKey is HABURLNPZSPDNG-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H25NO2.C2H6/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;1-2/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1-2H3/t16-;/m1./s1.
What are the key properties of (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane?
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane has a molecular weight of 293.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane is sourced from PubChem (CID 143785909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).