(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine

C11H18N2O — CID 66516554

IUPAC(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc([C@@H](N)CN)c1
InChIInChI=1S/C11H18N2O/c1-2-6-14-10-5-3-4-9(7-10)11(13)8-12/h3-5,7,11H,2,6,8,12-13H2,1H3/t11-/m0/s1
InChIKeyYZOHZCUWCJOMGW-NSHDSACASA-N
MW194.28 g/mol
LogP1.43
Rot. Bonds5

About (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine

(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine (PubChem CID 66516554) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
PubChem CID66516554
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc([C@@H](N)CN)c1
InChIInChI=1S/C11H18N2O/c1-2-6-14-10-5-3-4-9(7-10)11(13)8-12/h3-5,7,11H,2,6,8,12-13H2,1H3/t11-/m0/s1
InChIKeyYZOHZCUWCJOMGW-NSHDSACASA-N
XLogP1.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine (CID 66516554) is (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine is CCCOc1cccc([C@@H](N)CN)c1.
What is the InChIKey of (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is YZOHZCUWCJOMGW-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-6-14-10-5-3-4-9(7-10)11(13)8-12/h3-5,7,11H,2,6,8,12-13H2,1H3/t11-/m0/s1.
What are the key properties of (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine?
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66516554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).