(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine

C13H22N2O — CID 171210758

IUPAC(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccc([C@H](N)CCCN)cc1
InChIInChI=1S/C13H22N2O/c1-10(2)16-12-7-5-11(6-8-12)13(15)4-3-9-14/h5-8,10,13H,3-4,9,14-15H2,1-2H3/t13-/m1/s1
InChIKeyPQNUFRLKGXFMDK-CYBMUJFWSA-N
MW222.33 g/mol
LogP2.21
Rot. Bonds6

About (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine

(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine (PubChem CID 171210758) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
PubChem CID171210758
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccc([C@H](N)CCCN)cc1
InChIInChI=1S/C13H22N2O/c1-10(2)16-12-7-5-11(6-8-12)13(15)4-3-9-14/h5-8,10,13H,3-4,9,14-15H2,1-2H3/t13-/m1/s1
InChIKeyPQNUFRLKGXFMDK-CYBMUJFWSA-N
XLogP2.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171206168
4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116934759
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine (CID 171210758) is (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine is CC(C)Oc1ccc([C@H](N)CCCN)cc1.
What is the InChIKey of (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The InChIKey is PQNUFRLKGXFMDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)16-12-7-5-11(6-8-12)13(15)4-3-9-14/h5-8,10,13H,3-4,9,14-15H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 171210758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).