3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine

C14H23NO — CID 143800069

IUPAC3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(CCCOC)c1
InChIInChI=1S/C14H23NO/c1-15-10-4-8-13-6-3-7-14(12-13)9-5-11-16-2/h3,6-7,12,15H,4-5,8-11H2,1-2H3
InChIKeyBHOVVMYPSBBLKA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.42
Rot. Bonds8

About 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine

3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine (PubChem CID 143800069) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
PubChem CID143800069
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(CCCOC)c1
InChIInChI=1S/C14H23NO/c1-15-10-4-8-13-6-3-7-14(12-13)9-5-11-16-2/h3,6-7,12,15H,4-5,8-11H2,1-2H3
InChIKeyBHOVVMYPSBBLKA-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-3-(3-methoxypropyl)benzene
CID 59382337
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
1,3-bis(3-butylperoxypropyl)benzene
CID 142762210
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine
CID 84727157
3-[3-(1,1-difluoroethyl)phenyl]-N-methylpropan-1-amine
CID 116992431
N-[3-(3-methoxyphenyl)propoxy]methanamine
CID 117126893
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine
CID 117108037
3-(3-chloropropyl)-N-(4-methoxybutyl)aniline
CID 104649803

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine (CID 143800069) is 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine is CNCCCc1cccc(CCCOC)c1.
What is the InChIKey of 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is BHOVVMYPSBBLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15-10-4-8-13-6-3-7-14(12-13)9-5-11-16-2/h3,6-7,12,15H,4-5,8-11H2,1-2H3.
What are the key properties of 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine?
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 143800069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).