2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol

C14H24N2O — CID 61309688

IUPAC2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(C)(CO)NCCN(C)C)c1
InChIInChI=1S/C14H24N2O/c1-12-6-5-7-13(10-12)14(2,11-17)15-8-9-16(3)4/h5-7,10,15,17H,8-9,11H2,1-4H3
InChIKeyKLEUOQZREMFNJR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.35
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol

2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol (PubChem CID 61309688) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol
PubChem CID61309688
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(C)(CO)NCCN(C)C)c1
InChIInChI=1S/C14H24N2O/c1-12-6-5-7-13(10-12)14(2,11-17)15-8-9-16(3)4/h5-7,10,15,17H,8-9,11H2,1-4H3
InChIKeyKLEUOQZREMFNJR-UHFFFAOYSA-N
XLogP1.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 61308364
2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 61048823
2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 61056755
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 104653920
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 61050689
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol (CID 61309688) is 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(C)(CO)NCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol?
The InChIKey is KLEUOQZREMFNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-6-5-7-13(10-12)14(2,11-17)15-8-9-16(3)4/h5-7,10,15,17H,8-9,11H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol?
2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 61309688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).