2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine

C15H25NO2 — CID 55083614

IUPAC2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCOc1ccc(CC(CN)CCOC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)18-9-8-14(11-16)10-13-4-6-15(17-3)7-5-13/h4-7,12,14H,8-11,16H2,1-3H3
InChIKeyXSSPDFPPUPVEOI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.63
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine

2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 55083614) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
PubChem CID55083614
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCOc1ccc(CC(CN)CCOC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)18-9-8-14(11-16)10-13-4-6-15(17-3)7-5-13/h4-7,12,14H,8-11,16H2,1-3H3
InChIKeyXSSPDFPPUPVEOI-UHFFFAOYSA-N
XLogP2.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 65097604
2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528589
1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene
CID 86103111
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
CID 116651335
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62530583
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
CID 115001584
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
CID 107897068

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine (CID 55083614) is 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine is COc1ccc(CC(CN)CCOC(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is XSSPDFPPUPVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)18-9-8-14(11-16)10-13-4-6-15(17-3)7-5-13/h4-7,12,14H,8-11,16H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 55083614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).