2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine

C17H22N2O — CID 106759609

IUPAC2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NCCCOc1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(2)17-12-7-6-11-16(17)18-13-8-14-20-15-9-4-3-5-10-15/h3-7,9-12,18H,8,13-14H2,1-2H3
InChIKeyFPPKSUCVPNZASE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.63
Rot. Bonds7

About 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine (PubChem CID 106759609) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
PubChem CID106759609
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NCCCOc1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(2)17-12-7-6-11-16(17)18-13-8-14-20-15-9-4-3-5-10-15/h3-7,9-12,18H,8,13-14H2,1-2H3
InChIKeyFPPKSUCVPNZASE-UHFFFAOYSA-N
XLogP3.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 63488096
2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline
CID 65030325
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine (CID 106759609) is 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine is CN(C)c1ccccc1NCCCOc1ccccc1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine?
The InChIKey is FPPKSUCVPNZASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)17-12-7-6-11-16(17)18-13-8-14-20-15-9-4-3-5-10-15/h3-7,9-12,18H,8,13-14H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine is sourced from PubChem (CID 106759609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).