4-(2-propoxyphenoxy)butan-2-amine

C13H21NO2 — CID 43118980

IUPAC4-(2-propoxyphenoxy)butan-2-amine
SMILESCCCOc1ccccc1OCCC(C)N
InChIInChI=1S/C13H21NO2/c1-3-9-15-12-6-4-5-7-13(12)16-10-8-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyVULFJPLWNNRGTC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds7

About 4-(2-propoxyphenoxy)butan-2-amine

4-(2-propoxyphenoxy)butan-2-amine (PubChem CID 43118980) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-propoxyphenoxy)butan-2-amine.

Molecular Properties

Compound Name4-(2-propoxyphenoxy)butan-2-amine
PubChem CID43118980
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(2-propoxyphenoxy)butan-2-amine
SMILESCCCOc1ccccc1OCCC(C)N
InChIInChI=1S/C13H21NO2/c1-3-9-15-12-6-4-5-7-13(12)16-10-8-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyVULFJPLWNNRGTC-UHFFFAOYSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
1-(2-propoxyphenyl)ethanol
CID 43503976
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
CID 64805286
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyphenoxy)butan-2-amine?
The IUPAC name of 4-(2-propoxyphenoxy)butan-2-amine (CID 43118980) is 4-(2-propoxyphenoxy)butan-2-amine.
What is the SMILES notation for 4-(2-propoxyphenoxy)butan-2-amine?
The canonical SMILES for 4-(2-propoxyphenoxy)butan-2-amine is CCCOc1ccccc1OCCC(C)N.
What is the InChIKey of 4-(2-propoxyphenoxy)butan-2-amine?
The InChIKey is VULFJPLWNNRGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-9-15-12-6-4-5-7-13(12)16-10-8-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of 4-(2-propoxyphenoxy)butan-2-amine?
4-(2-propoxyphenoxy)butan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyphenoxy)butan-2-amine is sourced from PubChem (CID 43118980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).