2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol

C18H19NOS — CID 61055796

IUPAC2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCc1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c1-18(13-20,19-12-17-7-4-10-21-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-11,19-20H,12-13H2,1H3
InChIKeyGTQZGXYJBGJKFI-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.90
Rot. Bonds5

About 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol

2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol (PubChem CID 61055796) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol
PubChem CID61055796
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCc1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c1-18(13-20,19-12-17-7-4-10-21-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-11,19-20H,12-13H2,1H3
InChIKeyGTQZGXYJBGJKFI-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
2-methyl-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 55149935
3-(ethylamino)-3-naphthalen-2-ylbutan-1-ol
CID 65240126
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
CID 61054800
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113237010
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol (CID 61055796) is 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol is CC(CO)(NCc1cccs1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The InChIKey is GTQZGXYJBGJKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-18(13-20,19-12-17-7-4-10-21-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-11,19-20H,12-13H2,1H3.
What are the key properties of 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol?
2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 61055796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).