(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine

C16H27NO — CID 171216479

IUPAC(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(C(C)C)cc1[C@H](N)CCC(C)C
InChIInChI=1S/C16H27NO/c1-11(2)6-8-15(17)14-10-13(12(3)4)7-9-16(14)18-5/h7,9-12,15H,6,8,17H2,1-5H3/t15-/m1/s1
InChIKeyFCCGRJQZTNLPGH-OAHLLOKOSA-N
MW249.40 g/mol
LogP4.25
Rot. Bonds6

About (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine (PubChem CID 171216479) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
PubChem CID171216479
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(C(C)C)cc1[C@H](N)CCC(C)C
InChIInChI=1S/C16H27NO/c1-11(2)6-8-15(17)14-10-13(12(3)4)7-9-16(14)18-5/h7,9-12,15H,6,8,17H2,1-5H3/t15-/m1/s1
InChIKeyFCCGRJQZTNLPGH-OAHLLOKOSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
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
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine (CID 171216479) is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine is COc1ccc(C(C)C)cc1[C@H](N)CCC(C)C.
What is the InChIKey of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine?
The InChIKey is FCCGRJQZTNLPGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)6-8-15(17)14-10-13(12(3)4)7-9-16(14)18-5/h7,9-12,15H,6,8,17H2,1-5H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine?
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171216479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).