(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine

C13H22N2O — CID 171200692

IUPAC(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
SMILESCCOc1ccc([C@H](N)CCCCN)cc1
InChIInChI=1S/C13H22N2O/c1-2-16-12-8-6-11(7-9-12)13(15)5-3-4-10-14/h6-9,13H,2-5,10,14-15H2,1H3/t13-/m1/s1
InChIKeyCNSFFHISGYAROU-CYBMUJFWSA-N
MW222.33 g/mol
LogP2.21
Rot. Bonds7

About (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine

(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine (PubChem CID 171200692) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
PubChem CID171200692
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
SMILESCCOc1ccc([C@H](N)CCCCN)cc1
InChIInChI=1S/C13H22N2O/c1-2-16-12-8-6-11(7-9-12)13(15)5-3-4-10-14/h6-9,13H,2-5,10,14-15H2,1H3/t13-/m1/s1
InChIKeyCNSFFHISGYAROU-CYBMUJFWSA-N
XLogP2.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
4-amino-4-(4-ethoxyphenyl)butanenitrile
CID 116939991
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171206168
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine (CID 171200692) is (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine is CCOc1ccc([C@H](N)CCCCN)cc1.
What is the InChIKey of (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine?
The InChIKey is CNSFFHISGYAROU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-16-12-8-6-11(7-9-12)13(15)5-3-4-10-14/h6-9,13H,2-5,10,14-15H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine?
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine is sourced from PubChem (CID 171200692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).