N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

C16H22N2S — CID 61453411

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccc(CN)c1)Cc1cccs1
InChIInChI=1S/C16H22N2S/c1-13(2)18(12-16-7-4-8-19-16)11-15-6-3-5-14(9-15)10-17/h3-9,13H,10-12,17H2,1-2H3
InChIKeyAJCWNPKBOHALGV-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.62
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 61453411) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID61453411
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccc(CN)c1)Cc1cccs1
InChIInChI=1S/C16H22N2S/c1-13(2)18(12-16-7-4-8-19-16)11-15-6-3-5-14(9-15)10-17/h3-9,13H,10-12,17H2,1-2H3
InChIKeyAJCWNPKBOHALGV-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 102770501
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
2-fluoro-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106699173

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (CID 61453411) is N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cccc(CN)c1)Cc1cccs1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is AJCWNPKBOHALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(2)18(12-16-7-4-8-19-16)11-15-6-3-5-14(9-15)10-17/h3-9,13H,10-12,17H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 61453411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).