N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine

C17H29NO — CID 63496080

IUPACN-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)11-18-12-14(3)19-16-9-7-15(8-10-16)17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyLQSJXYVVMGEJSW-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine

N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 63496080) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
PubChem CID63496080
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)11-18-12-14(3)19-16-9-7-15(8-10-16)17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyLQSJXYVVMGEJSW-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62444619
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
N-[2-(4-tert-butylphenoxy)propyl]-4-ethoxyaniline
CID 54796469
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline
CID 54796195
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
N-prop-2-ynyl-2-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 62571922
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine (CID 63496080) is N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is LQSJXYVVMGEJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)11-18-12-14(3)19-16-9-7-15(8-10-16)17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine?
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63496080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).