N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine

C18H26N2S — CID 107555559

IUPACN-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCNCc1ccc(CN(Cc2ccccc2)C(C)C)s1
InChIInChI=1S/C18H26N2S/c1-4-19-12-17-10-11-18(21-17)14-20(15(2)3)13-16-8-6-5-7-9-16/h5-11,15,19H,4,12-14H2,1-3H3
InChIKeyXASKCSHPDRABJX-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.27
Rot. Bonds8

About N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine

N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107555559) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID107555559
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCNCc1ccc(CN(Cc2ccccc2)C(C)C)s1
InChIInChI=1S/C18H26N2S/c1-4-19-12-17-10-11-18(21-17)14-20(15(2)3)13-16-8-6-5-7-9-16/h5-11,15,19H,4,12-14H2,1-3H3
InChIKeyXASKCSHPDRABJX-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107555656
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
5-[[benzyl(propan-2-yl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80611385
N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556276
2-[[benzyl(propan-2-yl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94970822
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
CID 63464320
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 43280633
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine (CID 107555559) is N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine is CCNCc1ccc(CN(Cc2ccccc2)C(C)C)s1.
What is the InChIKey of N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is XASKCSHPDRABJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-19-12-17-10-11-18(21-17)14-20(15(2)3)13-16-8-6-5-7-9-16/h5-11,15,19H,4,12-14H2,1-3H3.
What are the key properties of N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107555559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).