1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol

C17H23NOS — CID 42837065

IUPAC1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCC(C)N(Cc1ccsc1)CC(O)Cc1ccccc1
InChIInChI=1S/C17H23NOS/c1-14(2)18(11-16-8-9-20-13-16)12-17(19)10-15-6-4-3-5-7-15/h3-9,13-14,17,19H,10-12H2,1-2H3
InChIKeyCWDCASQIVSMBSS-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.56
Rot. Bonds7

About 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol

1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 42837065) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID42837065
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCC(C)N(Cc1ccsc1)CC(O)Cc1ccccc1
InChIInChI=1S/C17H23NOS/c1-14(2)18(11-16-8-9-20-13-16)12-17(19)10-15-6-4-3-5-7-15/h3-9,13-14,17,19H,10-12H2,1-2H3
InChIKeyCWDCASQIVSMBSS-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3-methylphenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 93162276
1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 46007574
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 42682271
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
2-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646264
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007292
(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93162445
1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713472
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
CID 62027010

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 42837065) is 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol is CC(C)N(Cc1ccsc1)CC(O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is CWDCASQIVSMBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-14(2)18(11-16-8-9-20-13-16)12-17(19)10-15-6-4-3-5-7-15/h3-9,13-14,17,19H,10-12H2,1-2H3.
What are the key properties of 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol?
1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 289.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 42837065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).