1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine

C17H29NO — CID 82263941

IUPAC1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-15(18)13-8-9-16(19-11-12(2)3)14(10-13)17(4,5)6/h8-10,12,15H,7,11,18H2,1-6H3
InChIKeyCZVCOCPFHBJMDH-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.43
Rot. Bonds5

About 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine

1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine (PubChem CID 82263941) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
PubChem CID82263941
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-15(18)13-8-9-16(19-11-12(2)3)14(10-13)17(4,5)6/h8-10,12,15H,7,11,18H2,1-6H3
InChIKeyCZVCOCPFHBJMDH-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628
2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
CID 83934607
2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol
CID 83934562
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
2-tert-butyl-4-hept-1-yn-4-yl-1-(2-methylpropoxy)benzene
CID 83934601
5-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-one
CID 83934538
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
3-tert-butyl-4-(2-methylpropoxy)benzonitrile
CID 82263936
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(4-aminophenyl)-[3-tert-butyl-4-(2-methylpropoxy)phenyl]methanone
CID 82263950
2-tert-butyl-4-[(Z)-2-methylhex-3-enyl]-1-(2-methylpropoxy)benzene
CID 83934613

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine (CID 82263941) is 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine is CCC(N)c1ccc(OCC(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine?
The InChIKey is CZVCOCPFHBJMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-15(18)13-8-9-16(19-11-12(2)3)14(10-13)17(4,5)6/h8-10,12,15H,7,11,18H2,1-6H3.
What are the key properties of 1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine?
1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.43, 5 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-(2-methylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 82263941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).