(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol

C18H25NOS — CID 93163253

IUPAC(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
SMILESCc1ccc(CN(CC(C)C)C[C@H](O)c2ccccc2)s1
InChIInChI=1S/C18H25NOS/c1-14(2)11-19(12-17-10-9-15(3)21-17)13-18(20)16-7-5-4-6-8-16/h4-10,14,18,20H,11-13H2,1-3H3/t18-/m0/s1
InChIKeyZNGOGRBYNVWEIA-SFHVURJKSA-N
MW303.47 g/mol
LogP4.25
Rot. Bonds7

About (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol

(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol (PubChem CID 93163253) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
PubChem CID93163253
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
SMILESCc1ccc(CN(CC(C)C)C[C@H](O)c2ccccc2)s1
InChIInChI=1S/C18H25NOS/c1-14(2)11-19(12-17-10-9-15(3)21-17)13-18(20)16-7-5-4-6-8-16/h4-10,14,18,20H,11-13H2,1-3H3/t18-/m0/s1
InChIKeyZNGOGRBYNVWEIA-SFHVURJKSA-N
XLogP4.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 24713261
(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
CID 93163298
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol
CID 24714016
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
1-(2-methylphenoxy)-3-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 46007466
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
2-[amino(2-methylpropyl)amino]-1-phenylethanol
CID 21361101
2,6-bis[[bis[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]-4-methylphenol
CID 10100730
(2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol
CID 93163617
(2R)-1-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163679
2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 107556095
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol (CID 93163253) is (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol is Cc1ccc(CN(CC(C)C)C[C@H](O)c2ccccc2)s1.
What is the InChIKey of (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
The InChIKey is ZNGOGRBYNVWEIA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25NOS/c1-14(2)11-19(12-17-10-9-15(3)21-17)13-18(20)16-7-5-4-6-8-16/h4-10,14,18,20H,11-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol?
(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol has a molecular weight of 303.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 93163253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).