N-[3-(3-methoxyphenyl)propoxy]methanamine

C11H17NO2 — CID 117126893

IUPACN-[3-(3-methoxyphenyl)propoxy]methanamine
SMILESCNOCCCc1cccc(OC)c1
InChIInChI=1S/C11H17NO2/c1-12-14-8-4-6-10-5-3-7-11(9-10)13-2/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyRICZWDKFHGZGFS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.78
Rot. Bonds6

About N-[3-(3-methoxyphenyl)propoxy]methanamine

N-[3-(3-methoxyphenyl)propoxy]methanamine (PubChem CID 117126893) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propoxy]methanamine.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propoxy]methanamine
PubChem CID117126893
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[3-(3-methoxyphenyl)propoxy]methanamine
SMILESCNOCCCc1cccc(OC)c1
InChIInChI=1S/C11H17NO2/c1-12-14-8-4-6-10-5-3-7-11(9-10)13-2/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyRICZWDKFHGZGFS-UHFFFAOYSA-N
XLogP1.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
1-methoxy-3-propylbenzene
CID 14270128
4-(3-methoxyphenyl)butanal
CID 10821200
1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110976023
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
CID 110184914
7-(3-methoxyphenyl)heptanal
CID 86640154
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propoxy]methanamine?
The IUPAC name of N-[3-(3-methoxyphenyl)propoxy]methanamine (CID 117126893) is N-[3-(3-methoxyphenyl)propoxy]methanamine.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propoxy]methanamine?
The canonical SMILES for N-[3-(3-methoxyphenyl)propoxy]methanamine is CNOCCCc1cccc(OC)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propoxy]methanamine?
The InChIKey is RICZWDKFHGZGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-14-8-4-6-10-5-3-7-11(9-10)13-2/h3,5,7,9,12H,4,6,8H2,1-2H3.
What are the key properties of N-[3-(3-methoxyphenyl)propoxy]methanamine?
N-[3-(3-methoxyphenyl)propoxy]methanamine has a molecular weight of 195.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propoxy]methanamine is sourced from PubChem (CID 117126893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).