3-[4-(diethylaminomethyl)phenyl]propan-1-ol

C14H23NO — CID 117316981

IUPAC3-[4-(diethylaminomethyl)phenyl]propan-1-ol
SMILESCCN(CC)Cc1ccc(CCCO)cc1
InChIInChI=1S/C14H23NO/c1-3-15(4-2)12-14-9-7-13(8-10-14)6-5-11-16/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyLPWOPDSTRULDLT-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.45
Rot. Bonds7

About 3-[4-(diethylaminomethyl)phenyl]propan-1-ol

3-[4-(diethylaminomethyl)phenyl]propan-1-ol (PubChem CID 117316981) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[4-(diethylaminomethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(diethylaminomethyl)phenyl]propan-1-ol
PubChem CID117316981
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[4-(diethylaminomethyl)phenyl]propan-1-ol
SMILESCCN(CC)Cc1ccc(CCCO)cc1
InChIInChI=1S/C14H23NO/c1-3-15(4-2)12-14-9-7-13(8-10-14)6-5-11-16/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyLPWOPDSTRULDLT-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol
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3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
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3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
4-(4-propylphenyl)butan-1-ol
CID 10511962
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
CID 95464250
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylaminomethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(diethylaminomethyl)phenyl]propan-1-ol (CID 117316981) is 3-[4-(diethylaminomethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(diethylaminomethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(diethylaminomethyl)phenyl]propan-1-ol is CCN(CC)Cc1ccc(CCCO)cc1.
What is the InChIKey of 3-[4-(diethylaminomethyl)phenyl]propan-1-ol?
The InChIKey is LPWOPDSTRULDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-15(4-2)12-14-9-7-13(8-10-14)6-5-11-16/h7-10,16H,3-6,11-12H2,1-2H3.
What are the key properties of 3-[4-(diethylaminomethyl)phenyl]propan-1-ol?
3-[4-(diethylaminomethyl)phenyl]propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylaminomethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117316981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).