2-methoxy-1-phenylbutan-1-amine

C11H17NO — CID 43211581

IUPAC2-methoxy-1-phenylbutan-1-amine
SMILESCCC(OC)C(N)c1ccccc1
InChIInChI=1S/C11H17NO/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h4-8,10-11H,3,12H2,1-2H3
InChIKeyLJUCNGCTIKFUIB-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds4

About 2-methoxy-1-phenylbutan-1-amine

2-methoxy-1-phenylbutan-1-amine (PubChem CID 43211581) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methoxy-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-phenylbutan-1-amine
PubChem CID43211581
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methoxy-1-phenylbutan-1-amine
SMILESCCC(OC)C(N)c1ccccc1
InChIInChI=1S/C11H17NO/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h4-8,10-11H,3,12H2,1-2H3
InChIKeyLJUCNGCTIKFUIB-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxy-1-phenylbutan-1-amine
CID 43211594
2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116715210
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 43211618
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-(2-butoxyethoxy)-1-phenylbutan-1-amine
CID 43127531
1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
CID 116715205
1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine
CID 43108212
1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
CID 116715145
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372
2-methoxy-3-phenylbutan-1-amine
CID 66071958

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenylbutan-1-amine?
The IUPAC name of 2-methoxy-1-phenylbutan-1-amine (CID 43211581) is 2-methoxy-1-phenylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-phenylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-phenylbutan-1-amine is CCC(OC)C(N)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenylbutan-1-amine?
The InChIKey is LJUCNGCTIKFUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h4-8,10-11H,3,12H2,1-2H3.
What are the key properties of 2-methoxy-1-phenylbutan-1-amine?
2-methoxy-1-phenylbutan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenylbutan-1-amine is sourced from PubChem (CID 43211581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).