1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol

C17H30N2O2 — CID 107262456

IUPAC1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol
SMILESCCCCOCC(O)CNCCCN(C)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-3-4-13-21-15-17(20)14-18-11-8-12-19(2)16-9-6-5-7-10-16/h5-7,9-10,17-18,20H,3-4,8,11-15H2,1-2H3
InChIKeyNOZWCFQJLGUVEQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.28
Rot. Bonds12

About 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol

1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol (PubChem CID 107262456) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol
PubChem CID107262456
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol
SMILESCCCCOCC(O)CNCCCN(C)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-3-4-13-21-15-17(20)14-18-11-8-12-19(2)16-9-6-5-7-10-16/h5-7,9-10,17-18,20H,3-4,8,11-15H2,1-2H3
InChIKeyNOZWCFQJLGUVEQ-UHFFFAOYSA-N
XLogP2.28
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
CID 60635450
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
CID 62634911

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol (CID 107262456) is 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol is CCCCOCC(O)CNCCCN(C)c1ccccc1.
What is the InChIKey of 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol?
The InChIKey is NOZWCFQJLGUVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-4-13-21-15-17(20)14-18-11-8-12-19(2)16-9-6-5-7-10-16/h5-7,9-10,17-18,20H,3-4,8,11-15H2,1-2H3.
What are the key properties of 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol?
1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.28, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol is sourced from PubChem (CID 107262456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).