1-[methyl(3-phenoxypropyl)amino]butan-2-ol

C14H23NO2 — CID 142108769

IUPAC1-[methyl(3-phenoxypropyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-13(16)12-15(2)10-7-11-17-14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3
InChIKeyMAHRDDINRDTCAQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.16
Rot. Bonds8

About 1-[methyl(3-phenoxypropyl)amino]butan-2-ol

1-[methyl(3-phenoxypropyl)amino]butan-2-ol (PubChem CID 142108769) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[methyl(3-phenoxypropyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[methyl(3-phenoxypropyl)amino]butan-2-ol
PubChem CID142108769
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[methyl(3-phenoxypropyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-13(16)12-15(2)10-7-11-17-14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3
InChIKeyMAHRDDINRDTCAQ-UHFFFAOYSA-N
XLogP2.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-hydroxy-3-[methyl(3-phenoxypropyl)amino]propoxy]benzoate
CID 55648671
(2R)-1-(3-phenoxypropoxy)butan-2-ol
CID 158011713
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
2-[methyl(3-phenoxypropyl)amino]ethanethioamide
CID 62936274
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204
4-methyl-7-phenoxyheptan-3-ol
CID 63562397
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
CID 55125595
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
1-[3-benzhydryloxypropyl(methyl)amino]-3-methoxypropan-2-ol
CID 110194014
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-phenoxypropyl)amino]butan-2-ol?
The IUPAC name of 1-[methyl(3-phenoxypropyl)amino]butan-2-ol (CID 142108769) is 1-[methyl(3-phenoxypropyl)amino]butan-2-ol.
What is the SMILES notation for 1-[methyl(3-phenoxypropyl)amino]butan-2-ol?
The canonical SMILES for 1-[methyl(3-phenoxypropyl)amino]butan-2-ol is CCC(O)CN(C)CCCOc1ccccc1.
What is the InChIKey of 1-[methyl(3-phenoxypropyl)amino]butan-2-ol?
The InChIKey is MAHRDDINRDTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-13(16)12-15(2)10-7-11-17-14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3.
What are the key properties of 1-[methyl(3-phenoxypropyl)amino]butan-2-ol?
1-[methyl(3-phenoxypropyl)amino]butan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-phenoxypropyl)amino]butan-2-ol is sourced from PubChem (CID 142108769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).