(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride

C13H22ClNO — CID 175653806

IUPAC(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
SMILESCCCOc1ccccc1[C@H](N)C(C)C.Cl
InChIInChI=1S/C13H21NO.ClH/c1-4-9-15-12-8-6-5-7-11(12)13(14)10(2)3;/h5-8,10,13H,4,9,14H2,1-3H3;1H/t13-;/m1./s1
InChIKeyHOIZRIRVRFHXIL-BTQNPOSSSA-N
MW243.78 g/mol
LogP3.55
Rot. Bonds5

About (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride

(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 175653806) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
PubChem CID175653806
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
SMILESCCCOc1ccccc1[C@H](N)C(C)C.Cl
InChIInChI=1S/C13H21NO.ClH/c1-4-9-15-12-8-6-5-7-11(12)13(14)10(2)3;/h5-8,10,13H,4,9,14H2,1-3H3;1H/t13-;/m1./s1
InChIKeyHOIZRIRVRFHXIL-BTQNPOSSSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propoxyphenyl)ethanol
CID 43503976
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CID 104663546
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CID 115853740
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine
CID 116721965
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
CID 107443118
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride (CID 175653806) is (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride is CCCOc1ccccc1[C@H](N)C(C)C.Cl.
What is the InChIKey of (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is HOIZRIRVRFHXIL-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-4-9-15-12-8-6-5-7-11(12)13(14)10(2)3;/h5-8,10,13H,4,9,14H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride?
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 175653806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).