2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine

C17H29NO — CID 116931077

IUPAC2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1cc(C)c(CC(CN)C(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15(10-18)8-14-9-16(12(3)4)17(19-6)7-13(14)5/h7,9,11-12,15H,8,10,18H2,1-6H3
InChIKeyRBNMHUPHWVNXLV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.90
Rot. Bonds6

About 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine

2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 116931077) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
PubChem CID116931077
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1cc(C)c(CC(CN)C(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15(10-18)8-14-9-16(12(3)4)17(19-6)7-13(14)5/h7,9,11-12,15H,8,10,18H2,1-6H3
InChIKeyRBNMHUPHWVNXLV-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol
CID 116931006
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116926751
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931204
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine (CID 116931077) is 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine is COc1cc(C)c(CC(CN)C(C)C)cc1C(C)C.
What is the InChIKey of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is RBNMHUPHWVNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)15(10-18)8-14-9-16(12(3)4)17(19-6)7-13(14)5/h7,9,11-12,15H,8,10,18H2,1-6H3.
What are the key properties of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine?
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 116931077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).