3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

C22H31NO — CID 25023480

IUPAC3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
SMILESCc1ccc(O)cc1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-21(19-9-7-6-8-10-19)22-15-20(24)12-11-18(22)5/h6-12,15-17,21,24H,13-14H2,1-5H3
InChIKeyYVBNIBINRVZCRT-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.34
Rot. Bonds7

About 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol (PubChem CID 25023480) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol.

Molecular Properties

Compound Name3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
PubChem CID25023480
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
SMILESCc1ccc(O)cc1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-21(19-9-7-6-8-10-19)22-15-20(24)12-11-18(22)5/h6-12,15-17,21,24H,13-14H2,1-5H3
InChIKeyYVBNIBINRVZCRT-UHFFFAOYSA-N
XLogP5.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol 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

(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 70989552
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
CID 22677023
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-[(1R)-3-[[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 11468528
4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357394
[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
CID 54021285
(3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 91809622
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
CID 22735213
ethyl 2-[[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenoxy]carbonyl-methylamino]acetate
CID 69331796
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]methyl 2-hydroxy-2-phenylacetate
CID 69343214
(3R)-3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine;hydrobromide
CID 67440218
3-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propanenitrile
CID 18357318
4-azido-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357406

Frequently Asked Questions

What is the IUPAC name of 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol?
The IUPAC name of 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol (CID 25023480) is 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol.
What is the SMILES notation for 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol?
The canonical SMILES for 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol is Cc1ccc(O)cc1C(CCN(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol?
The InChIKey is YVBNIBINRVZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-21(19-9-7-6-8-10-19)22-15-20(24)12-11-18(22)5/h6-12,15-17,21,24H,13-14H2,1-5H3.
What are the key properties of 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol?
3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol has a molecular weight of 325.50 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol is sourced from PubChem (CID 25023480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).