3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine

C14H22ClNO2 — CID 55065296

IUPAC3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(Cl)cc1COCCCNC(C)C
InChIInChI=1S/C14H22ClNO2/c1-11(2)16-7-4-8-18-10-12-9-13(15)5-6-14(12)17-3/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyCXWWWCLOGAPRDP-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.25
Rot. Bonds8

About 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine

3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 55065296) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID55065296
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(Cl)cc1COCCCNC(C)C
InChIInChI=1S/C14H22ClNO2/c1-11(2)16-7-4-8-18-10-12-9-13(15)5-6-14(12)17-3/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyCXWWWCLOGAPRDP-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.25
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

3-[(4-chloro-2-fluorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 114850573
3-[(5-chloro-2-nitrophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 79580662
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
3-(4-chloro-2-prop-2-enylphenoxy)-N-propan-2-ylpropan-1-amine;oxalic acid
CID 2922806
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94271591
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine (CID 55065296) is 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine is COc1ccc(Cl)cc1COCCCNC(C)C.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is CXWWWCLOGAPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11(2)16-7-4-8-18-10-12-9-13(15)5-6-14(12)17-3/h5-6,9,11,16H,4,7-8,10H2,1-3H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 55065296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).