2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine

C17H29NO — CID 112509381

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(C(CN)CC(C)C)cc1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-12(2)9-14(11-18)13-7-8-16(19-6)15(10-13)17(3,4)5/h7-8,10,12,14H,9,11,18H2,1-6H3
InChIKeySXBAUWVMWNKPQY-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine

2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine (PubChem CID 112509381) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
PubChem CID112509381
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(C(CN)CC(C)C)cc1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-12(2)9-14(11-18)13-7-8-16(19-6)15(10-13)17(3,4)5/h7-8,10,12,14H,9,11,18H2,1-6H3
InChIKeySXBAUWVMWNKPQY-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
CID 83936789

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine (CID 112509381) is 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine is COc1ccc(C(CN)CC(C)C)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine?
The InChIKey is SXBAUWVMWNKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)9-14(11-18)13-7-8-16(19-6)15(10-13)17(3,4)5/h7-8,10,12,14H,9,11,18H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine?
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 112509381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).