N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine

C13H22N2 — CID 43180194

IUPACN,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNC)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13(11-14-3)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3
InChIKeyBLDHUBGINMQQCW-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds6

About N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine

N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine (PubChem CID 43180194) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
PubChem CID43180194
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNC)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13(11-14-3)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3
InChIKeyBLDHUBGINMQQCW-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 82940241
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 107906481
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 113482426
N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine (CID 43180194) is N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine is CCN(CC)C(CNC)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine?
The InChIKey is BLDHUBGINMQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(5-2)13(11-14-3)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine?
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43180194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).