4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine

C15H24N2OS — CID 54981505

IUPAC4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
SMILESCOc1ccc(CN(C)C2(CN)CCSCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-17(15(12-16)7-9-19-10-8-15)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3
InChIKeyIJCJVVMPVIRMFS-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.35
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine

4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine (PubChem CID 54981505) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
PubChem CID54981505
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
SMILESCOc1ccc(CN(C)C2(CN)CCSCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-17(15(12-16)7-9-19-10-8-15)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3
InChIKeyIJCJVVMPVIRMFS-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
CID 106821852
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 62010342
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661092
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine
CID 54984936
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
3-(aminomethyl)-N-benzyl-N-methylthian-3-amine
CID 62871840
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693232

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine (CID 54981505) is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine is COc1ccc(CN(C)C2(CN)CCSCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine?
The InChIKey is IJCJVVMPVIRMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-17(15(12-16)7-9-19-10-8-15)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine?
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine is sourced from PubChem (CID 54981505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).