cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol

C16H25NO3 — CID 25256210

IUPACcis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol
SMILESNCC[C@@H](O)c1cccc(OC[C@H]2CCC[C@@H](O)C2)c1
InChIInChI=1S/C16H25NO3/c17-8-7-16(19)13-4-2-6-15(10-13)20-11-12-3-1-5-14(18)9-12/h2,4,6,10,12,14,16,18-19H,1,3,5,7-9,11,17H2/t12-,14+,16+/m0/s1
InChIKeyISFFXAXGACDCLJ-JGGQBBKZSA-N
MW279.38 g/mol
LogP2.00
Rot. Bonds6

About cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol

cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 25256210) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID25256210
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namecis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol
SMILESNCC[C@@H](O)c1cccc(OC[C@H]2CCC[C@@H](O)C2)c1
InChIInChI=1S/C16H25NO3/c17-8-7-16(19)13-4-2-6-15(10-13)20-11-12-3-1-5-14(18)9-12/h2,4,6,10,12,14,16,18-19H,1,3,5,7-9,11,17H2/t12-,14+,16+/m0/s1
InChIKeyISFFXAXGACDCLJ-JGGQBBKZSA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
cis-(1S,3R)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;3-(cyclohexylmethoxy)-N-propylaniline;methane
CID 160696089
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
cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol
CID 162075014
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol
CID 123956343
CID 172583865
CID 172583865
1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
CID 130373177
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol (CID 25256210) is cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol is NCC[C@@H](O)c1cccc(OC[C@H]2CCC[C@@H](O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is ISFFXAXGACDCLJ-JGGQBBKZSA-N. The full InChI is InChI=1S/C16H25NO3/c17-8-7-16(19)13-4-2-6-15(10-13)20-11-12-3-1-5-14(18)9-12/h2,4,6,10,12,14,16,18-19H,1,3,5,7-9,11,17H2/t12-,14+,16+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol?
cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 25256210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).