2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol

C21H29NO3 — CID 11695856

IUPAC2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol
SMILESCC(C)COc1ccc(-c2cccc(CCC(N)(CO)CO)c2)cc1
InChIInChI=1S/C21H29NO3/c1-16(2)13-25-20-8-6-18(7-9-20)19-5-3-4-17(12-19)10-11-21(22,14-23)15-24/h3-9,12,16,23-24H,10-11,13-15,22H2,1-2H3
InChIKeyHAIVLKUDXUSZDE-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.00
Rot. Bonds9

About 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol

2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol (PubChem CID 11695856) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol
PubChem CID11695856
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol
SMILESCC(C)COc1ccc(-c2cccc(CCC(N)(CO)CO)c2)cc1
InChIInChI=1S/C21H29NO3/c1-16(2)13-25-20-8-6-18(7-9-20)19-5-3-4-17(12-19)10-11-21(22,14-23)15-24/h3-9,12,16,23-24H,10-11,13-15,22H2,1-2H3
InChIKeyHAIVLKUDXUSZDE-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 164606887
2-amino-2-[3-[3-(3-chloro-4-phenylmethoxyphenyl)phenyl]propyl]propane-1,3-diol
CID 142999951
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine
CID 82479976
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
2-amino-2-[2-(4-hexoxyphenyl)ethyl]propane-1,3-diol
CID 11483309
2-amino-2-[2-(4-tridecoxyphenyl)ethyl]propane-1,3-diol
CID 11223128
4-[3-(4-butoxyphenyl)phenyl]butan-2-one
CID 167259415
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
2-amino-2-[2-(6-pentoxynaphthalen-2-yl)ethyl]propane-1,3-diol
CID 58709703
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 95444849

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol (CID 11695856) is 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol is CC(C)COc1ccc(-c2cccc(CCC(N)(CO)CO)c2)cc1.
What is the InChIKey of 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol?
The InChIKey is HAIVLKUDXUSZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-16(2)13-25-20-8-6-18(7-9-20)19-5-3-4-17(12-19)10-11-21(22,14-23)15-24/h3-9,12,16,23-24H,10-11,13-15,22H2,1-2H3.
What are the key properties of 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol?
2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol has a molecular weight of 343.47 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 11695856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).