1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine

C15H21NOS — CID 117413869

IUPAC1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(OC3CCSCC3)c2)CC1
InChIInChI=1S/C15H21NOS/c16-15(6-7-15)11-12-2-1-3-14(10-12)17-13-4-8-18-9-5-13/h1-3,10,13H,4-9,11,16H2
InChIKeyZXBUNPPTIPEEQW-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.99
Rot. Bonds4

About 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine

1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117413869) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine
PubChem CID117413869
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(OC3CCSCC3)c2)CC1
InChIInChI=1S/C15H21NOS/c16-15(6-7-15)11-12-2-1-3-14(10-12)17-13-4-8-18-9-5-13/h1-3,10,13H,4-9,11,16H2
InChIKeyZXBUNPPTIPEEQW-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
1-[[3-(1,1-dioxothietan-3-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117421847
2-[[3-(thian-4-yloxy)phenyl]methyl]pyrrolidine
CID 117444975
2-amino-2-[3-(thian-4-yloxy)phenyl]ethanol
CID 115005306
1-[3-(thiolan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117413849
(3-cyclopropyloxyphenyl)methanol
CID 57336629
3-[(3-cyclopentyloxyphenyl)methyl]-2H-pyridine-2,3-diamine
CID 69246010
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
ethyl 2-(3-cyclopropyloxyphenyl)acetate
CID 114522675
9-[3-(chloromethyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79894617

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine (CID 117413869) is 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2cccc(OC3CCSCC3)c2)CC1.
What is the InChIKey of 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is ZXBUNPPTIPEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-15(6-7-15)11-12-2-1-3-14(10-12)17-13-4-8-18-9-5-13/h1-3,10,13H,4-9,11,16H2.
What are the key properties of 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine?
1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(thian-4-yloxy)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117413869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).