1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol

C17H30N2O — CID 60710732

IUPAC1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)CCc1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-19(5-2)14-17(20)13-18-15(3)11-12-16-9-7-6-8-10-16/h6-10,15,17-18,20H,4-5,11-14H2,1-3H3
InChIKeySNGFTVHUAGPARQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.30
Rot. Bonds10

About 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol

1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol (PubChem CID 60710732) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
PubChem CID60710732
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)CCc1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-19(5-2)14-17(20)13-18-15(3)11-12-16-9-7-6-8-10-16/h6-10,15,17-18,20H,4-5,11-14H2,1-3H3
InChIKeySNGFTVHUAGPARQ-UHFFFAOYSA-N
XLogP2.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192
1-(pentan-2-ylamino)-3-phenylpropan-2-ol
CID 110884310
2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
CID 43107601
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
1-(3,5-dimethylphenoxy)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 158624002
methyl 2-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]benzoate
CID 15572779
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol (CID 60710732) is 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol is CCN(CC)CC(O)CNC(C)CCc1ccccc1.
What is the InChIKey of 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol?
The InChIKey is SNGFTVHUAGPARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-19(5-2)14-17(20)13-18-15(3)11-12-16-9-7-6-8-10-16/h6-10,15,17-18,20H,4-5,11-14H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol?
1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60710732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).