1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine

C14H23NO — CID 82048896

IUPAC1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-6-12(15)10-7-8-13(16-5)11(9-10)14(2,3)4/h7-9,12H,6,15H2,1-5H3
InChIKeyYWJMJPWEAQUQIP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine

1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine (PubChem CID 82048896) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
PubChem CID82048896
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-6-12(15)10-7-8-13(16-5)11(9-10)14(2,3)4/h7-9,12H,6,15H2,1-5H3
InChIKeyYWJMJPWEAQUQIP-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 82263941
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
2-[amino-(3-tert-butyl-4-methoxyphenyl)methyl]butanenitrile
CID 116946154
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
3-amino-3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940362
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
CID 84694404
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine (CID 82048896) is 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine is CCC(N)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine?
The InChIKey is YWJMJPWEAQUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-12(15)10-7-8-13(16-5)11(9-10)14(2,3)4/h7-9,12H,6,15H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine?
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 82048896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).