1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine

C17H29NO2 — CID 61481330

IUPAC1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(OC)ccc1OCCC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-14(18)11-13-12-15(19-5)7-8-16(13)20-10-9-17(2,3)4/h7-8,12,14H,6,9-11,18H2,1-5H3
InChIKeyRJGZRRPJYQQTNO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.79
Rot. Bonds7

About 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine

1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine (PubChem CID 61481330) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
PubChem CID61481330
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(OC)ccc1OCCC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-14(18)11-13-12-15(19-5)7-8-16(13)20-10-9-17(2,3)4/h7-8,12,14H,6,9-11,18H2,1-5H3
InChIKeyRJGZRRPJYQQTNO-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
1-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]butan-2-amine
CID 113474011
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
1-[2-propoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine
CID 170890591
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170889238
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine (CID 61481330) is 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine is CCC(N)Cc1cc(OC)ccc1OCCC(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine?
The InChIKey is RJGZRRPJYQQTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-14(18)11-13-12-15(19-5)7-8-16(13)20-10-9-17(2,3)4/h7-8,12,14H,6,9-11,18H2,1-5H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine?
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine is sourced from PubChem (CID 61481330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).