N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine

C14H24N2 — CID 62419505

IUPACN-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(C)CC
InChIInChI=1S/C14H24N2/c1-4-11-15-12-14(16(3)5-2)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3
InChIKeyRAQFTQFAKLOVDR-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.68
Rot. Bonds7

About N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine

N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine (PubChem CID 62419505) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
PubChem CID62419505
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(C)CC
InChIInChI=1S/C14H24N2/c1-4-11-15-12-14(16(3)5-2)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3
InChIKeyRAQFTQFAKLOVDR-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine (CID 62419505) is N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine is CCCNCC(c1ccccc1)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine?
The InChIKey is RAQFTQFAKLOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-11-15-12-14(16(3)5-2)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine?
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62419505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).