3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol

C18H23NO — CID 115666478

IUPAC3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-19(13-6-14-20)15-16-9-11-18(12-10-16)17-7-4-3-5-8-17/h3-5,7-12,20H,2,6,13-15H2,1H3
InChIKeyVWAPBVTWXBDLNV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.56
Rot. Bonds7

About 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol

3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol (PubChem CID 115666478) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
PubChem CID115666478
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-19(13-6-14-20)15-16-9-11-18(12-10-16)17-7-4-3-5-8-17/h3-5,7-12,20H,2,6,13-15H2,1H3
InChIKeyVWAPBVTWXBDLNV-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid
CID 6456297
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol
CID 19065805
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N-[4-(diethylaminomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 100516184

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol (CID 115666478) is 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol is CCN(CCCO)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol?
The InChIKey is VWAPBVTWXBDLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-19(13-6-14-20)15-16-9-11-18(12-10-16)17-7-4-3-5-8-17/h3-5,7-12,20H,2,6,13-15H2,1H3.
What are the key properties of 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol?
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115666478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).