(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine

C11H18N2O — CID 66516534

IUPAC(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc([C@@H](N)CN)cc1
InChIInChI=1S/C11H18N2O/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12/h3-6,11H,2,7-8,12-13H2,1H3/t11-/m0/s1
InChIKeySGTWXWMOLFNTFM-NSHDSACASA-N
MW194.28 g/mol
LogP1.43
Rot. Bonds5

About (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine

(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 66516534) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID66516534
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc([C@@H](N)CN)cc1
InChIInChI=1S/C11H18N2O/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12/h3-6,11H,2,7-8,12-13H2,1H3/t11-/m0/s1
InChIKeySGTWXWMOLFNTFM-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

1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1S)-1-[4-(3-chloropropoxy)phenyl]ethane-1,2-diamine
CID 66517949
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64654172
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
2-tert-butylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64651112

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 66516534) is (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc([C@@H](N)CN)cc1.
What is the InChIKey of (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is SGTWXWMOLFNTFM-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12/h3-6,11H,2,7-8,12-13H2,1H3/t11-/m0/s1.
What are the key properties of (1R)-1-(4-propoxyphenyl)ethane-1,2-diamine?
(1R)-1-(4-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-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66516534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).