N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline

C17H24N2S — CID 63059318

IUPACN-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
SMILESCC(C)CNCc1ccccc1N(C)Cc1ccsc1
InChIInChI=1S/C17H24N2S/c1-14(2)10-18-11-16-6-4-5-7-17(16)19(3)12-15-8-9-20-13-15/h4-9,13-14,18H,10-12H2,1-3H3
InChIKeyBNEGVHMDDHNIBI-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.13
Rot. Bonds7

About N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline

N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline (PubChem CID 63059318) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
PubChem CID63059318
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
SMILESCC(C)CNCc1ccccc1N(C)Cc1ccsc1
InChIInChI=1S/C17H24N2S/c1-14(2)10-18-11-16-6-4-5-7-17(16)19(3)12-15-8-9-20-13-15/h4-9,13-14,18H,10-12H2,1-3H3
InChIKeyBNEGVHMDDHNIBI-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
CID 81247060
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528292
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62421937
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline (CID 63059318) is N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline is CC(C)CNCc1ccccc1N(C)Cc1ccsc1.
What is the InChIKey of N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is BNEGVHMDDHNIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-14(2)10-18-11-16-6-4-5-7-17(16)19(3)12-15-8-9-20-13-15/h4-9,13-14,18H,10-12H2,1-3H3.
What are the key properties of N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline?
N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 288.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 63059318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).