N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine

C15H23NOS — CID 115625903

IUPACN-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine
SMILESCCOc1cccc(CNCC2CCSCC2)c1
InChIInChI=1S/C15H23NOS/c1-2-17-15-5-3-4-14(10-15)12-16-11-13-6-8-18-9-7-13/h3-5,10,13,16H,2,6-9,11-12H2,1H3
InChIKeyQHWBUBHCIHQWNP-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.32
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine

N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine (PubChem CID 115625903) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine
PubChem CID115625903
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine
SMILESCCOc1cccc(CNCC2CCSCC2)c1
InChIInChI=1S/C15H23NOS/c1-2-17-15-5-3-4-14(10-15)12-16-11-13-6-8-18-9-7-13/h3-5,10,13,16H,2,6-9,11-12H2,1H3
InChIKeyQHWBUBHCIHQWNP-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776459
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine
CID 62420931
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine (CID 115625903) is N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine is CCOc1cccc(CNCC2CCSCC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine?
The InChIKey is QHWBUBHCIHQWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-17-15-5-3-4-14(10-15)12-16-11-13-6-8-18-9-7-13/h3-5,10,13,16H,2,6-9,11-12H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine?
N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine is sourced from PubChem (CID 115625903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).