1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide

C16H28N2O2S — CID 43588630

IUPAC1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H28N2O2S/c1-4-14(5-2)12-18(6-3)21(19,20)13-16-9-7-15(11-17)8-10-16/h7-10,14H,4-6,11-13,17H2,1-3H3
InChIKeyKNNQCSUXKYAXFG-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.73
Rot. Bonds9

About 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide (PubChem CID 43588630) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
PubChem CID43588630
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H28N2O2S/c1-4-14(5-2)12-18(6-3)21(19,20)13-16-9-7-15(11-17)8-10-16/h7-10,14H,4-6,11-13,17H2,1-3H3
InChIKeyKNNQCSUXKYAXFG-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-ethylbutyl)ethanesulfonamide
CID 61437362
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
1-[4-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 107479114
1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 63663851
3-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]-2-methylpropanoic acid
CID 62826691
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
CID 54936307
N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 60764490
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
N-[[4-(aminomethyl)phenyl]methyl]-2-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 23992654
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
CID 103188514

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide (CID 43588630) is 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide is CCC(CC)CN(CC)S(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The InChIKey is KNNQCSUXKYAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-14(5-2)12-18(6-3)21(19,20)13-16-9-7-15(11-17)8-10-16/h7-10,14H,4-6,11-13,17H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide is sourced from PubChem (CID 43588630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).