1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

C12H16N2O — CID 65380773

IUPAC1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccccc1OC
InChIInChI=1S/C12H16N2O/c1-3-8-14-11(9-13)10-6-4-5-7-12(10)15-2/h1,4-7,11,14H,8-9,13H2,2H3
InChIKeyBCYLMQILAMANSG-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.92
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 65380773) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID65380773
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccccc1OC
InChIInChI=1S/C12H16N2O/c1-3-8-14-11(9-13)10-6-4-5-7-12(10)15-2/h1,4-7,11,14H,8-9,13H2,2H3
InChIKeyBCYLMQILAMANSG-UHFFFAOYSA-N
XLogP0.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381167
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381166
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385216
2-(2-methoxyphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62353700
1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566
N-but-3-ynyl-1-(4-methoxynaphthalen-1-yl)ethane-1,2-diamine
CID 116641053
1-(2-methoxyphenyl)hex-5-ynylhydrazine
CID 105191170
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (CID 65380773) is 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNC(CN)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is BCYLMQILAMANSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-8-14-11(9-13)10-6-4-5-7-12(10)15-2/h1,4-7,11,14H,8-9,13H2,2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 204.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 65380773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).