N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine

C15H25NO3 — CID 82939930

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H25NO3/c1-4-7-19-8-5-6-16-12-13-9-14(17-2)11-15(10-13)18-3/h9-11,16H,4-8,12H2,1-3H3
InChIKeyPYUWXZTWDFZYEE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.61
Rot. Bonds10

About N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine

N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine (PubChem CID 82939930) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine
PubChem CID82939930
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H25NO3/c1-4-7-19-8-5-6-16-12-13-9-14(17-2)11-15(10-13)18-3/h9-11,16H,4-8,12H2,1-3H3
InChIKeyPYUWXZTWDFZYEE-UHFFFAOYSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.61
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-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 28674357
N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82941583
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
N'-tert-butyl-N-[(3,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 115572730
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
N-[(3-bromo-5-nitrophenyl)methyl]-3-propoxypropan-1-amine
CID 103351003
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
3-butoxy-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 17207562
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
3-butoxy-N-[(3,5-dichloro-4-propoxyphenyl)methyl]propan-1-amine
CID 29223105
N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
CID 62597582

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine (CID 82939930) is N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine is CCCOCCCNCc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine?
The InChIKey is PYUWXZTWDFZYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-7-19-8-5-6-16-12-13-9-14(17-2)11-15(10-13)18-3/h9-11,16H,4-8,12H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine?
N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82939930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).