(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol

C17H29NO3 — CID 114987094

IUPAC(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
SMILESCCCOc1ccc(C(C)N[C@H](C)CO)cc1OCCC
InChIInChI=1S/C17H29NO3/c1-5-9-20-16-8-7-15(11-17(16)21-10-6-2)14(4)18-13(3)12-19/h7-8,11,13-14,18-19H,5-6,9-10,12H2,1-4H3/t13-,14?/m1/s1
InChIKeyVRWRMDOOOBPKJR-KWCCSABGSA-N
MW295.42 g/mol
LogP3.30
Rot. Bonds10

About (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol

(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol (PubChem CID 114987094) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
PubChem CID114987094
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
SMILESCCCOc1ccc(C(C)N[C@H](C)CO)cc1OCCC
InChIInChI=1S/C17H29NO3/c1-5-9-20-16-8-7-15(11-17(16)21-10-6-2)14(4)18-13(3)12-19/h7-8,11,13-14,18-19H,5-6,9-10,12H2,1-4H3/t13-,14?/m1/s1
InChIKeyVRWRMDOOOBPKJR-KWCCSABGSA-N
XLogP3.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
CID 16777784
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
CID 66436778
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
(2S)-N-[(1S)-1-(3-propoxyphenyl)ethyl]butan-2-amine
CID 100557187
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol (CID 114987094) is (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol is CCCOc1ccc(C(C)N[C@H](C)CO)cc1OCCC.
What is the InChIKey of (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol?
The InChIKey is VRWRMDOOOBPKJR-KWCCSABGSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-9-20-16-8-7-15(11-17(16)21-10-6-2)14(4)18-13(3)12-19/h7-8,11,13-14,18-19H,5-6,9-10,12H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol?
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 114987094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).