(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine

C13H21NO — CID 899124

IUPAC(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc([C@H](CCN)C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13(8-9-14)11-4-6-12(15-3)7-5-11/h4-7,10,13H,8-9,14H2,1-3H3/t13-/m1/s1
InChIKeySTWWBPVSVFVMIZ-CYBMUJFWSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds5

About (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine

(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine (PubChem CID 899124) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
PubChem CID899124
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc([C@H](CCN)C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13(8-9-14)11-4-6-12(15-3)7-5-11/h4-7,10,13H,8-9,14H2,1-3H3/t13-/m1/s1
InChIKeySTWWBPVSVFVMIZ-CYBMUJFWSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine
CID 115029046
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
CID 112512545
1-methoxy-4-(2-methylheptan-3-yl)benzene
CID 54213021
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
4-methyl-3-(4-propylphenyl)pentan-1-amine
CID 112507881
(3S)-3-(4-methoxyphenyl)-4-methylpentanoate
CID 7083022
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine (CID 899124) is (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine is COc1ccc([C@H](CCN)C(C)C)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine?
The InChIKey is STWWBPVSVFVMIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)13(8-9-14)11-4-6-12(15-3)7-5-11/h4-7,10,13H,8-9,14H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine?
(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 899124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).