(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride

C14H24ClNO — CID 171250029

IUPAC(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-10(2)16-12-8-6-11(7-9-12)13(15)14(3,4)5;/h6-10,13H,15H2,1-5H3;1H/t13-;/m0./s1
InChIKeyXFXXVHPTURUXSU-ZOWNYOTGSA-N
MW257.81 g/mol
LogP3.94
Rot. Bonds3

About (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride

(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171250029) has the molecular formula C14H24ClNO and a molecular weight of 257.81 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
PubChem CID171250029
Molecular FormulaC14H24ClNO
Molecular Weight257.81 g/mol
Exact Mass257.15
IUPAC Name(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-10(2)16-12-8-6-11(7-9-12)13(15)14(3,4)5;/h6-10,13H,15H2,1-5H3;1H/t13-;/m0./s1
InChIKeyXFXXVHPTURUXSU-ZOWNYOTGSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
CID 116942097
(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
(1R,2S)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171264340
(1S,2R)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171270016
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
1-propan-2-yloxy-4-(2,5,5-trimethylhexan-3-yl)benzene
CID 123364737

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride (CID 171250029) is (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride is CC(C)Oc1ccc([C@H](N)C(C)(C)C)cc1.Cl.
What is the InChIKey of (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is XFXXVHPTURUXSU-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-10(2)16-12-8-6-11(7-9-12)13(15)14(3,4)5;/h6-10,13H,15H2,1-5H3;1H/t13-;/m0./s1.
What are the key properties of (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride?
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171250029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).