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

C13H22N2O — CID 171211917

IUPAC(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccccc1[C@H](N)CCCN
InChIInChI=1S/C13H22N2O/c1-10(2)16-13-8-4-3-6-11(13)12(15)7-5-9-14/h3-4,6,8,10,12H,5,7,9,14-15H2,1-2H3/t12-/m1/s1
InChIKeyKYMYEJXFLHJYIW-GFCCVEGCSA-N
MW222.33 g/mol
LogP2.21
Rot. Bonds6

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

(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine (PubChem CID 171211917) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
PubChem CID171211917
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccccc1[C@H](N)CCCN
InChIInChI=1S/C13H22N2O/c1-10(2)16-13-8-4-3-6-11(13)12(15)7-5-9-14/h3-4,6,8,10,12H,5,7,9,14-15H2,1-2H3/t12-/m1/s1
InChIKeyKYMYEJXFLHJYIW-GFCCVEGCSA-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-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 114211571
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105170945
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine (CID 171211917) is (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine is CC(C)Oc1ccccc1[C@H](N)CCCN.
What is the InChIKey of (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
The InChIKey is KYMYEJXFLHJYIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)16-13-8-4-3-6-11(13)12(15)7-5-9-14/h3-4,6,8,10,12H,5,7,9,14-15H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
(1R)-1-(2-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-(2-propan-2-yloxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 171211917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).