3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine

C17H30N2O — CID 115464039

IUPAC3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCOCCCN(C)Cc1ccccc1CCNC(C)C
InChIInChI=1S/C17H30N2O/c1-15(2)18-11-10-16-8-5-6-9-17(16)14-19(3)12-7-13-20-4/h5-6,8-9,15,18H,7,10-14H2,1-4H3
InChIKeyPZROBUCSIOMQTK-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.70
Rot. Bonds10

About 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine

3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine (PubChem CID 115464039) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
PubChem CID115464039
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCOCCCN(C)Cc1ccccc1CCNC(C)C
InChIInChI=1S/C17H30N2O/c1-15(2)18-11-10-16-8-5-6-9-17(16)14-19(3)12-7-13-20-4/h5-6,8-9,15,18H,7,10-14H2,1-4H3
InChIKeyPZROBUCSIOMQTK-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.70
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

N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
CID 115463726
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557176
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
CID 112724062
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
CID 62417579
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine (CID 115464039) is 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine is COCCCN(C)Cc1ccccc1CCNC(C)C.
What is the InChIKey of 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
The InChIKey is PZROBUCSIOMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2)18-11-10-16-8-5-6-9-17(16)14-19(3)12-7-13-20-4/h5-6,8-9,15,18H,7,10-14H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine?
3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115464039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).