1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine

C14H23NO — CID 117317079

IUPAC1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)ccc1C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)12-7-6-11(8-13(12)16-5)9-14(3,4)15/h6-8,10H,9,15H2,1-5H3
InChIKeyNOYMMWKBHGPOOM-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.10
Rot. Bonds4

About 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine

1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine (PubChem CID 117317079) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
PubChem CID117317079
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)ccc1C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)12-7-6-11(8-13(12)16-5)9-14(3,4)15/h6-8,10H,9,15H2,1-5H3
InChIKeyNOYMMWKBHGPOOM-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-(4-methoxy-3-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117324234
tert-butyl-[(3-methoxy-4-propan-2-ylphenyl)methoxy]-dimethylsilane
CID 174039904
1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117371838
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
1-(3-methoxy-4-propan-2-ylphenyl)butan-2-one
CID 10513136
1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
CID 107892398
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641
2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene
CID 156559115
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117482437
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine (CID 117317079) is 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)ccc1C(C)C.
What is the InChIKey of 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine?
The InChIKey is NOYMMWKBHGPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)12-7-6-11(8-13(12)16-5)9-14(3,4)15/h6-8,10H,9,15H2,1-5H3.
What are the key properties of 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine?
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117317079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).