4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

C17H29NO — CID 65306595

IUPAC4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(C)cc1CCC(C)(C)CNC(C)C
InChIInChI=1S/C17H29NO/c1-13(2)18-12-17(4,5)10-9-15-11-14(3)7-8-16(15)19-6/h7-8,11,13,18H,9-10,12H2,1-6H3
InChIKeyAWRXVIWAQNIJBO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.96
Rot. Bonds7

About 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 65306595) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID65306595
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(C)cc1CCC(C)(C)CNC(C)C
InChIInChI=1S/C17H29NO/c1-13(2)18-12-17(4,5)10-9-15-11-14(3)7-8-16(15)19-6/h7-8,11,13,18H,9-10,12H2,1-6H3
InChIKeyAWRXVIWAQNIJBO-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63507865
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692
4-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 103396834
4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306008
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
4-(2-chloro-4,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 115485086
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylpentan-1-amine
CID 114148941
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
CID 65298753
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308482

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (CID 65306595) is 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is COc1ccc(C)cc1CCC(C)(C)CNC(C)C.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is AWRXVIWAQNIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)18-12-17(4,5)10-9-15-11-14(3)7-8-16(15)19-6/h7-8,11,13,18H,9-10,12H2,1-6H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65306595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).