(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol

C18H29NO2 — CID 39818664

IUPAC(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN[C@H](C)CC2(C)CC2)c(C)c1
InChIInChI=1S/C18H29NO2/c1-13-5-6-17(14(2)9-13)21-12-16(20)11-19-15(3)10-18(4)7-8-18/h5-6,9,15-16,19-20H,7-8,10-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyNXUOFEBMOXRXAC-HZPDHXFCSA-N
MW291.44 g/mol
LogP3.21
Rot. Bonds8

About (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol

(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol (PubChem CID 39818664) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol
PubChem CID39818664
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN[C@H](C)CC2(C)CC2)c(C)c1
InChIInChI=1S/C18H29NO2/c1-13-5-6-17(14(2)9-13)21-12-16(20)11-19-15(3)10-18(4)7-8-18/h5-6,9,15-16,19-20H,7-8,10-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyNXUOFEBMOXRXAC-HZPDHXFCSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663
1-(2-bromo-4-methylphenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 60633111
1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021283
1-(2,4-dimethylphenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229993
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138960420
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol (CID 39818664) is (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol is Cc1ccc(OC[C@H](O)CN[C@H](C)CC2(C)CC2)c(C)c1.
What is the InChIKey of (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol?
The InChIKey is NXUOFEBMOXRXAC-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-5-6-17(14(2)9-13)21-12-16(20)11-19-15(3)10-18(4)7-8-18/h5-6,9,15-16,19-20H,7-8,10-12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol?
(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 39818664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).