1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine

C17H29NO — CID 116718735

IUPAC1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-8-15(19-6)16(18-5)13-9-11-14(12-10-13)17(2,3)4/h9-12,15-16,18H,7-8H2,1-6H3
InChIKeyGPZAFTBZLUIKNO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine

1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine (PubChem CID 116718735) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
PubChem CID116718735
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-8-15(19-6)16(18-5)13-9-11-14(12-10-13)17(2,3)4/h9-12,15-16,18H,7-8H2,1-6H3
InChIKeyGPZAFTBZLUIKNO-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 116718838
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948029
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102833855

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine (CID 116718735) is 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine is CCCC(OC)C(NC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine?
The InChIKey is GPZAFTBZLUIKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-8-15(19-6)16(18-5)13-9-11-14(12-10-13)17(2,3)4/h9-12,15-16,18H,7-8H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine?
1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 116718735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).