1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

C16H27NO4 — CID 60632107

IUPAC1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCOc1cccc(CNCC(O)COCCOC(C)C)c1
InChIInChI=1S/C16H27NO4/c1-13(2)21-8-7-20-12-15(18)11-17-10-14-5-4-6-16(9-14)19-3/h4-6,9,13,15,17-18H,7-8,10-12H2,1-3H3
InChIKeyRWOBIANVZQSKAR-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.59
Rot. Bonds11

About 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 60632107) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID60632107
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCOc1cccc(CNCC(O)COCCOC(C)C)c1
InChIInChI=1S/C16H27NO4/c1-13(2)21-8-7-20-12-15(18)11-17-10-14-5-4-6-16(9-14)19-3/h4-6,9,13,15,17-18H,7-8,10-12H2,1-3H3
InChIKeyRWOBIANVZQSKAR-UHFFFAOYSA-N
XLogP1.59
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
3-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]benzonitrile
CID 60918104
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62989903
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol;dihydrochloride
CID 172690704
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 60632107) is 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is COc1cccc(CNCC(O)COCCOC(C)C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is RWOBIANVZQSKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13(2)21-8-7-20-12-15(18)11-17-10-14-5-4-6-16(9-14)19-3/h4-6,9,13,15,17-18H,7-8,10-12H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.59, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 60632107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).