N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine

C16H28N2 — CID 62421624

IUPACN-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCNCc1ccccc1CN(CC)CC(C)C
InChIInChI=1S/C16H28N2/c1-5-17-11-15-9-7-8-10-16(15)13-18(6-2)12-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyAFQYVBOKQYWLQS-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.27
Rot. Bonds8

About N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine

N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62421624) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62421624
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCNCc1ccccc1CN(CC)CC(C)C
InChIInChI=1S/C16H28N2/c1-5-17-11-15-9-7-8-10-16(15)13-18(6-2)12-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyAFQYVBOKQYWLQS-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 113314749
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 102769521
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 61324923
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 62421624) is N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine is CCNCc1ccccc1CN(CC)CC(C)C.
What is the InChIKey of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is AFQYVBOKQYWLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-17-11-15-9-7-8-10-16(15)13-18(6-2)12-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3.
What are the key properties of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62421624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).