2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine

C16H29N3 — CID 103190068

IUPAC2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1ccccc1N(CC)C(C)CN(C)C
InChIInChI=1S/C16H29N3/c1-6-17-12-15-10-8-9-11-16(15)19(7-2)14(3)13-18(4)5/h8-11,14,17H,6-7,12-13H2,1-5H3
InChIKeyJFWBJCPWKXYWKD-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.57
Rot. Bonds8

About 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190068) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190068
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1ccccc1N(CC)C(C)CN(C)C
InChIInChI=1S/C16H29N3/c1-6-17-12-15-10-8-9-11-16(15)19(7-2)14(3)13-18(4)5/h8-11,14,17H,6-7,12-13H2,1-5H3
InChIKeyJFWBJCPWKXYWKD-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191478
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 43280633
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
N-(1-cyclopropylethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 43569387
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190068) is 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCNCc1ccccc1N(CC)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is JFWBJCPWKXYWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-17-12-15-10-8-9-11-16(15)19(7-2)14(3)13-18(4)5/h8-11,14,17H,6-7,12-13H2,1-5H3.
What are the key properties of 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).