2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C17H24N2OS — CID 62570531

IUPAC2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCOc1ccc(CN(C)C(C)CNCc2cccs2)cc1
InChIInChI=1S/C17H24N2OS/c1-14(11-18-12-17-5-4-10-21-17)19(2)13-15-6-8-16(20-3)9-7-15/h4-10,14,18H,11-13H2,1-3H3
InChIKeyFOGSIOOUACXZGP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.37
Rot. Bonds8

About 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62570531) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62570531
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCOc1ccc(CN(C)C(C)CNCc2cccs2)cc1
InChIInChI=1S/C17H24N2OS/c1-14(11-18-12-17-5-4-10-21-17)19(2)13-15-6-8-16(20-3)9-7-15/h4-10,14,18H,11-13H2,1-3H3
InChIKeyFOGSIOOUACXZGP-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569823
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569378
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62570531) is 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is COc1ccc(CN(C)C(C)CNCc2cccs2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is FOGSIOOUACXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-14(11-18-12-17-5-4-10-21-17)19(2)13-15-6-8-16(20-3)9-7-15/h4-10,14,18H,11-13H2,1-3H3.
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62570531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).