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

C15H26N2 — CID 62422900

IUPACN-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
SMILESCCCN(CC)Cc1ccccc1CNCC
InChIInChI=1S/C15H26N2/c1-4-11-17(6-3)13-15-10-8-7-9-14(15)12-16-5-2/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyPLSFIGSNDWPDJZ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds8

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

N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine (PubChem CID 62422900) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
PubChem CID62422900
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
SMILESCCCN(CC)Cc1ccccc1CNCC
InChIInChI=1S/C15H26N2/c1-4-11-17(6-3)13-15-10-8-7-9-14(15)12-16-5-2/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyPLSFIGSNDWPDJZ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 61324923
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228
N'-tert-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]ethane-1,2-diamine
CID 107444667
3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine (CID 62422900) is N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine is CCCN(CC)Cc1ccccc1CNCC.
What is the InChIKey of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine?
The InChIKey is PLSFIGSNDWPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-11-17(6-3)13-15-10-8-7-9-14(15)12-16-5-2/h7-10,16H,4-6,11-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine?
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 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]propan-1-amine is sourced from PubChem (CID 62422900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).