N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine

C16H27NO3 — CID 62565553

IUPACN-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCOc1cccc(COCCNCCCOC(C)C)c1
InChIInChI=1S/C16H27NO3/c1-14(2)20-10-5-8-17-9-11-19-13-15-6-4-7-16(12-15)18-3/h4,6-7,12,14,17H,5,8-11,13H2,1-3H3
InChIKeyFQEBKTSWKXQHQF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.62
Rot. Bonds11

About N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine

N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 62565553) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID62565553
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCOc1cccc(COCCNCCCOC(C)C)c1
InChIInChI=1S/C16H27NO3/c1-14(2)20-10-5-8-17-9-11-19-13-15-6-4-7-16(12-15)18-3/h4,6-7,12,14,17H,5,8-11,13H2,1-3H3
InChIKeyFQEBKTSWKXQHQF-UHFFFAOYSA-N
XLogP2.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-bromophenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 82825503
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 107852103
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N-methylpropan-2-amine
CID 58202110
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111246563
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine (CID 62565553) is N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine is COc1cccc(COCCNCCCOC(C)C)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is FQEBKTSWKXQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14(2)20-10-5-8-17-9-11-19-13-15-6-4-7-16(12-15)18-3/h4,6-7,12,14,17H,5,8-11,13H2,1-3H3.
What are the key properties of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 62565553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).