2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine

C15H25NO — CID 43183851

IUPAC2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)OCCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-11(2)9-10-17-13(4)15(16)14-7-5-12(3)6-8-14/h5-8,11,13,15H,9-10,16H2,1-4H3
InChIKeyDHYYCQYXDNNDMT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds6

About 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine

2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine (PubChem CID 43183851) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine
PubChem CID43183851
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)OCCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-11(2)9-10-17-13(4)15(16)14-7-5-12(3)6-8-14/h5-8,11,13,15H,9-10,16H2,1-4H3
InChIKeyDHYYCQYXDNNDMT-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-1-amine
CID 114157364
1-(1-chloro-4-methylpentyl)-4-methylbenzene
CID 63428910
2-(3-methylbutoxy)-1,2-diphenylethanamine
CID 43104834
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 43184137
1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 43184114
1-(4-ethylphenyl)-2-pentoxypropan-1-amine
CID 43310113
1-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 107523928
2-(4-methylphenoxy)-1-phenylpropan-1-amine
CID 18069726
2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine
CID 116719776
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine
CID 78974138
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine (CID 43183851) is 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine is Cc1ccc(C(N)C(C)OCCC(C)C)cc1.
What is the InChIKey of 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is DHYYCQYXDNNDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)9-10-17-13(4)15(16)14-7-5-12(3)6-8-14/h5-8,11,13,15H,9-10,16H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine?
2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 43183851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).