1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol

C16H28N2O — CID 81361333

IUPAC1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
SMILESCCN(CC)CC(O)CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-5-18(6-2)12-16(19)11-17-14(4)15-9-7-8-13(3)10-15/h7-10,14,16-17,19H,5-6,11-12H2,1-4H3/t14-,16?/m0/s1
InChIKeyPRCYYRNJMQKZQV-LBAUFKAWSA-N
MW264.41 g/mol
LogP2.35
Rot. Bonds8

About 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol

1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol (PubChem CID 81361333) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
PubChem CID81361333
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
SMILESCCN(CC)CC(O)CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-5-18(6-2)12-16(19)11-17-14(4)15-9-7-8-13(3)10-15/h7-10,14,16-17,19H,5-6,11-12H2,1-4H3/t14-,16?/m0/s1
InChIKeyPRCYYRNJMQKZQV-LBAUFKAWSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
CID 81361301
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
N'-[(1S)-1-(3-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442499
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol (CID 81361333) is 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol is CCN(CC)CC(O)CN[C@@H](C)c1cccc(C)c1.
What is the InChIKey of 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
The InChIKey is PRCYYRNJMQKZQV-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(6-2)12-16(19)11-17-14(4)15-9-7-8-13(3)10-15/h7-10,14,16-17,19H,5-6,11-12H2,1-4H3/t14-,16?/m0/s1.
What are the key properties of 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol?
1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 81361333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).