(1R)-1-(3-tert-butylphenyl)-N-methylethanamine

C13H21N — CID 131209247

IUPAC(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
SMILESCN[C@H](C)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H21N/c1-10(14-5)11-7-6-8-12(9-11)13(2,3)4/h6-10,14H,1-5H3/t10-/m1/s1
InChIKeyBFDGSWCMVZXKEE-SNVBAGLBSA-N
MW191.32 g/mol
LogP3.26
Rot. Bonds2

About (1R)-1-(3-tert-butylphenyl)-N-methylethanamine

(1R)-1-(3-tert-butylphenyl)-N-methylethanamine (PubChem CID 131209247) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1R)-1-(3-tert-butylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
PubChem CID131209247
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
SMILESCN[C@H](C)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H21N/c1-10(14-5)11-7-6-8-12(9-11)13(2,3)4/h6-10,14H,1-5H3/t10-/m1/s1
InChIKeyBFDGSWCMVZXKEE-SNVBAGLBSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-tert-butylphenyl)-N-chloroethanamine
CID 123238023
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
CID 23527699
CID 23527699
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol
CID 84736381
1-[3-(3,3-dimethylbutylsulfanyl)phenyl]-N-methylethanamine
CID 64665486
N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 79167385
1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326642
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
CID 64663343
ethane;N-methyl-1-phenylethanamine
CID 91444453
N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine
CID 84737499
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-tert-butylphenyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(3-tert-butylphenyl)-N-methylethanamine (CID 131209247) is (1R)-1-(3-tert-butylphenyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(3-tert-butylphenyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(3-tert-butylphenyl)-N-methylethanamine is CN[C@H](C)c1cccc(C(C)(C)C)c1.
What is the InChIKey of (1R)-1-(3-tert-butylphenyl)-N-methylethanamine?
The InChIKey is BFDGSWCMVZXKEE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N/c1-10(14-5)11-7-6-8-12(9-11)13(2,3)4/h6-10,14H,1-5H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-tert-butylphenyl)-N-methylethanamine?
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-tert-butylphenyl)-N-methylethanamine is sourced from PubChem (CID 131209247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).