N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C19H33NO — CID 115943428

IUPACN-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCc1ccc(C(CCOC(C)(C)C)CNC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-15-8-10-16(11-9-15)17(14-20-18(2,3)4)12-13-21-19(5,6)7/h8-11,17,20H,12-14H2,1-7H3
InChIKeySIFZCRDYIXZJQG-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.67
Rot. Bonds6

About N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 115943428) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID115943428
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCc1ccc(C(CCOC(C)(C)C)CNC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-15-8-10-16(11-9-15)17(14-20-18(2,3)4)12-13-21-19(5,6)7/h8-11,17,20H,12-14H2,1-7H3
InChIKeySIFZCRDYIXZJQG-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
CID 79430720
2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
CID 79438359
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 113355515
2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
CID 115943448
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108054
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591582
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
CID 83168805

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 115943428) is N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is Cc1ccc(C(CCOC(C)(C)C)CNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is SIFZCRDYIXZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15-8-10-16(11-9-15)17(14-20-18(2,3)4)12-13-21-19(5,6)7/h8-11,17,20H,12-14H2,1-7H3.
What are the key properties of N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 115943428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).