1-(4-methoxyphenyl)-1-propoxybutan-2-amine

C14H23NO2 — CID 55016107

IUPAC1-(4-methoxyphenyl)-1-propoxybutan-2-amine
SMILESCCCOC(c1ccc(OC)cc1)C(N)CC
InChIInChI=1S/C14H23NO2/c1-4-10-17-14(13(15)5-2)11-6-8-12(16-3)9-7-11/h6-9,13-14H,4-5,10,15H2,1-3H3
InChIKeyRIHXGCBRTRRWRG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds7

About 1-(4-methoxyphenyl)-1-propoxybutan-2-amine

1-(4-methoxyphenyl)-1-propoxybutan-2-amine (PubChem CID 55016107) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-propoxybutan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-propoxybutan-2-amine
PubChem CID55016107
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-methoxyphenyl)-1-propoxybutan-2-amine
SMILESCCCOC(c1ccc(OC)cc1)C(N)CC
InChIInChI=1S/C14H23NO2/c1-4-10-17-14(13(15)5-2)11-6-8-12(16-3)9-7-11/h6-9,13-14H,4-5,10,15H2,1-3H3
InChIKeyRIHXGCBRTRRWRG-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
CID 55015865
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 55233645
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
CID 55016012
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
CID 66233118
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene
CID 101271686
1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55015962
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
1-(4-chlorophenyl)-1-[3-(2-methoxyethoxy)propoxy]butan-2-amine
CID 103401321

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-propoxybutan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-1-propoxybutan-2-amine (CID 55016107) is 1-(4-methoxyphenyl)-1-propoxybutan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-propoxybutan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-propoxybutan-2-amine is CCCOC(c1ccc(OC)cc1)C(N)CC.
What is the InChIKey of 1-(4-methoxyphenyl)-1-propoxybutan-2-amine?
The InChIKey is RIHXGCBRTRRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-10-17-14(13(15)5-2)11-6-8-12(16-3)9-7-11/h6-9,13-14H,4-5,10,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-propoxybutan-2-amine?
1-(4-methoxyphenyl)-1-propoxybutan-2-amine has a molecular weight of 237.34 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-(4-methoxyphenyl)-1-propoxybutan-2-amine is sourced from PubChem (CID 55016107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).