1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol

C16H21NOS — CID 65190297

IUPAC1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol
SMILESCc1cccc(CCC(O)C(CN)c2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-12-4-2-5-13(10-12)7-8-15(18)14(11-17)16-6-3-9-19-16/h2-6,9-10,14-15,18H,7-8,11,17H2,1H3
InChIKeyKKVYJXPHQVBNHE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.09
Rot. Bonds6

About 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol

1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol (PubChem CID 65190297) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol.

Molecular Properties

Compound Name1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol
PubChem CID65190297
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol
SMILESCc1cccc(CCC(O)C(CN)c2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-12-4-2-5-13(10-12)7-8-15(18)14(11-17)16-6-3-9-19-16/h2-6,9-10,14-15,18H,7-8,11,17H2,1H3
InChIKeyKKVYJXPHQVBNHE-UHFFFAOYSA-N
XLogP3.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
CID 65190040
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol
CID 65185744
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
6-(3-methylphenyl)hexan-3-ol
CID 64513249
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
CID 65190352

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol?
The IUPAC name of 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol (CID 65190297) is 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol.
What is the SMILES notation for 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol?
The canonical SMILES for 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol is Cc1cccc(CCC(O)C(CN)c2cccs2)c1.
What is the InChIKey of 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol?
The InChIKey is KKVYJXPHQVBNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-4-2-5-13(10-12)7-8-15(18)14(11-17)16-6-3-9-19-16/h2-6,9-10,14-15,18H,7-8,11,17H2,1H3.
What are the key properties of 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol?
1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol has a molecular weight of 275.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol is sourced from PubChem (CID 65190297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).