(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride

C14H24ClNO — CID 171236084

IUPAC(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1cc(C(C)C)ccc1OC.Cl
InChIInChI=1S/C14H23NO.ClH/c1-5-6-13(15)12-9-11(10(2)3)7-8-14(12)16-4;/h7-10,13H,5-6,15H2,1-4H3;1H/t13-;/m0./s1
InChIKeyBSNVMKOZMLTHCW-ZOWNYOTGSA-N
MW257.80 g/mol
LogP4.04
Rot. Bonds5

About (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride

(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride (PubChem CID 171236084) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
PubChem CID171236084
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1cc(C(C)C)ccc1OC.Cl
InChIInChI=1S/C14H23NO.ClH/c1-5-6-13(15)12-9-11(10(2)3)7-8-14(12)16-4;/h7-10,13H,5-6,15H2,1-4H3;1H/t13-;/m0./s1
InChIKeyBSNVMKOZMLTHCW-ZOWNYOTGSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
CID 171216475
5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
CID 162344324
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride (CID 171236084) is (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride is CCC[C@H](N)c1cc(C(C)C)ccc1OC.Cl.
What is the InChIKey of (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride?
The InChIKey is BSNVMKOZMLTHCW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-5-6-13(15)12-9-11(10(2)3)7-8-14(12)16-4;/h7-10,13H,5-6,15H2,1-4H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride?
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride has a molecular weight of 257.80 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171236084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).