N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine

C15H25N — CID 62530089

IUPACN-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(C)CNC(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-12-6-8-14(9-7-12)10-13(2)11-16-15(3,4)5/h6-9,13,16H,10-11H2,1-5H3
InChIKeyMCTXUFDRHYPKBH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.56
Rot. Bonds4

About N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine

N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 62530089) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
PubChem CID62530089
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(C)CNC(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-12-6-8-14(9-7-12)10-13(2)11-16-15(3,4)5/h6-9,13,16H,10-11H2,1-5H3
InChIKeyMCTXUFDRHYPKBH-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine
CID 81222174
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437274

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine (CID 62530089) is N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CC(C)CNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is MCTXUFDRHYPKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12-6-8-14(9-7-12)10-13(2)11-16-15(3,4)5/h6-9,13,16H,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine?
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62530089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).