3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol

C13H21NO — CID 115346033

IUPAC3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
SMILESCCc1cccc(C(O)CCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-11-6-5-7-12(10-11)13(15)8-9-14(2)3/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyQYCICRPOXFOLKM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds5

About 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol

3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol (PubChem CID 115346033) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
PubChem CID115346033
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
SMILESCCc1cccc(C(O)CCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-11-6-5-7-12(10-11)13(15)8-9-14(2)3/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyQYCICRPOXFOLKM-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346411
1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105117283
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
1-(3-butylphenyl)butan-1-ol
CID 158563510
1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
CID 105117200
3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
CID 115345859
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol (CID 115346033) is 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol is CCc1cccc(C(O)CCN(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol?
The InChIKey is QYCICRPOXFOLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-6-5-7-12(10-11)13(15)8-9-14(2)3/h5-7,10,13,15H,4,8-9H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol?
3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol is sourced from PubChem (CID 115346033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).