1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine

C15H23NO2 — CID 55015865

IUPAC1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(OCC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-3-14(16)15(18-10-11-4-5-11)12-6-8-13(17-2)9-7-12/h6-9,11,14-15H,3-5,10,16H2,1-2H3
InChIKeyRJQMSEDCFMCEGN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.90
Rot. Bonds7

About 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine

1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine (PubChem CID 55015865) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
PubChem CID55015865
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(OCC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-3-14(16)15(18-10-11-4-5-11)12-6-8-13(17-2)9-7-12/h6-9,11,14-15H,3-5,10,16H2,1-2H3
InChIKeyRJQMSEDCFMCEGN-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 55016107
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
CID 62382206
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
1-[1-(cyclohexylmethoxy)-2-iodoethyl]-4-methoxybenzene
CID 114773998
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine (CID 55015865) is 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine is CCC(N)C(OCC1CC1)c1ccc(OC)cc1.
What is the InChIKey of 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine?
The InChIKey is RJQMSEDCFMCEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-14(16)15(18-10-11-4-5-11)12-6-8-13(17-2)9-7-12/h6-9,11,14-15H,3-5,10,16H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine?
1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 55015865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).