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

C12H20N2 — CID 3860307

IUPACN,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKeyZXCVEIVPQIPKIO-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.03
Rot. Bonds5

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

N,N-diethyl-1-phenylethane-1,2-diamine (PubChem CID 3860307) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N-diethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-phenylethane-1,2-diamine
PubChem CID3860307
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKeyZXCVEIVPQIPKIO-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 3014024
CID 3014024
CID 10836
CID 10836
CID 8753
CID 8753
CID 6726
CID 6726
CID 65015
CID 65015
CID 31202
CID 31202
CID 5311017
CID 5311017
CID 36604
CID 36604
CID 7669
CID 7669
CID 31204
CID 31204
CID 5963
CID 5963
CID 8755
CID 8755

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-phenylethane-1,2-diamine (CID 3860307) is N,N-diethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-phenylethane-1,2-diamine is CCN(CC)C(CN)c1ccccc1.
What is the InChIKey of N,N-diethyl-1-phenylethane-1,2-diamine?
The InChIKey is ZXCVEIVPQIPKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3.
What are the key properties of N,N-diethyl-1-phenylethane-1,2-diamine?
N,N-diethyl-1-phenylethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 3860307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).