2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine

C17H29NO — CID 116931067

IUPAC2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1CC(CN)C(C)C
InChIInChI=1S/C17H29NO/c1-12(2)14(11-18)9-13-10-15(17(3,4)5)7-8-16(13)19-6/h7-8,10,12,14H,9,11,18H2,1-6H3
InChIKeyKRLRDFNMLZDNER-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.77
Rot. Bonds5

About 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine

2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 116931067) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
PubChem CID116931067
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1CC(CN)C(C)C
InChIInChI=1S/C17H29NO/c1-12(2)14(11-18)9-13-10-15(17(3,4)5)7-8-16(13)19-6/h7-8,10,12,14H,9,11,18H2,1-6H3
InChIKeyKRLRDFNMLZDNER-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612
[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
CID 155398742
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine (CID 116931067) is 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine is COc1ccc(C(C)(C)C)cc1CC(CN)C(C)C.
What is the InChIKey of 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is KRLRDFNMLZDNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)14(11-18)9-13-10-15(17(3,4)5)7-8-16(13)19-6/h7-8,10,12,14H,9,11,18H2,1-6H3.
What are the key properties of 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 116931067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).