4-[4-(2-methoxypropoxy)phenyl]butan-2-amine

C14H23NO2 — CID 113382671

IUPAC4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
SMILESCOC(C)COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C14H23NO2/c1-11(15)4-5-13-6-8-14(9-7-13)17-10-12(2)16-3/h6-9,11-12H,4-5,10,15H2,1-3H3
InChIKeyWNCZIINDXRVRTE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds7

About 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine

4-[4-(2-methoxypropoxy)phenyl]butan-2-amine (PubChem CID 113382671) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
PubChem CID113382671
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
SMILESCOC(C)COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C14H23NO2/c1-11(15)4-5-13-6-8-14(9-7-13)17-10-12(2)16-3/h6-9,11-12H,4-5,10,15H2,1-3H3
InChIKeyWNCZIINDXRVRTE-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-(2-methoxypropoxy)aniline
CID 70550871
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60879766
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103408958
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine (CID 113382671) is 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine is COC(C)COc1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine?
The InChIKey is WNCZIINDXRVRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(15)4-5-13-6-8-14(9-7-13)17-10-12(2)16-3/h6-9,11-12H,4-5,10,15H2,1-3H3.
What are the key properties of 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine?
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxypropoxy)phenyl]butan-2-amine is sourced from PubChem (CID 113382671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).