N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

C16H29N3 — CID 63700866

IUPACN'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C16H29N3/c1-5-17-16(15-9-7-6-8-10-15)11-12-19(4)14-13-18(2)3/h6-10,16-17H,5,11-14H2,1-4H3
InChIKeyBDXPTJQCJAUMEX-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.22
Rot. Bonds9

About N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 63700866) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID63700866
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C16H29N3/c1-5-17-16(15-9-7-6-8-10-15)11-12-19(4)14-13-18(2)3/h6-10,16-17H,5,11-14H2,1-4H3
InChIKeyBDXPTJQCJAUMEX-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62612461
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (CID 63700866) is N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is CCNC(CCN(C)CCN(C)C)c1ccccc1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is BDXPTJQCJAUMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-17-16(15-9-7-6-8-10-15)11-12-19(4)14-13-18(2)3/h6-10,16-17H,5,11-14H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63700866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).