1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine

C20H27N — CID 115794483

IUPAC1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C20H27N/c1-20(2,3)18-13-9-8-12-17(18)19(21-4)15-14-16-10-6-5-7-11-16/h5-13,19,21H,14-15H2,1-4H3
InChIKeyMRFALHNPXVXPHK-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.88
Rot. Bonds5

About 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine

1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 115794483) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID115794483
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C20H27N/c1-20(2,3)18-13-9-8-12-17(18)19(21-4)15-14-16-10-6-5-7-11-16/h5-13,19,21H,14-15H2,1-4H3
InChIKeyMRFALHNPXVXPHK-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
1-(2-tert-butylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115821094
1-(2-tert-butylphenyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 104986270
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
1-(3-bromo-2-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849363
N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
CID 115849651
CID 59877545
CID 59877545
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine (CID 115794483) is 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is MRFALHNPXVXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-20(2,3)18-13-9-8-12-17(18)19(21-4)15-14-16-10-6-5-7-11-16/h5-13,19,21H,14-15H2,1-4H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine?
1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115794483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).