1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

C16H22N2S — CID 114929524

IUPAC1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCN(Cc1cccs1)CC(N)CCc1ccccc1
InChIInChI=1S/C16H22N2S/c1-18(13-16-8-5-11-19-16)12-15(17)10-9-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13,17H2,1H3
InChIKeyDASGSJQTYZESHC-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.14
Rot. Bonds7

About 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (PubChem CID 114929524) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
PubChem CID114929524
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCN(Cc1cccs1)CC(N)CCc1ccccc1
InChIInChI=1S/C16H22N2S/c1-18(13-16-8-5-11-19-16)12-15(17)10-9-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13,17H2,1H3
InChIKeyDASGSJQTYZESHC-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806
1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 104681857
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
1-N-methyl-4-phenyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 114929811

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (CID 114929524) is 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is CN(Cc1cccs1)CC(N)CCc1ccccc1.
What is the InChIKey of 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The InChIKey is DASGSJQTYZESHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-18(13-16-8-5-11-19-16)12-15(17)10-9-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13,17H2,1H3.
What are the key properties of 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 114929524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).