N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine

C20H27NO2 — CID 54804200

IUPACN-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCCOc1c(CNCc2ccccc2)cccc1OC
InChIInChI=1S/C20H27NO2/c1-3-4-8-14-23-20-18(12-9-13-19(20)22-2)16-21-15-17-10-6-5-7-11-17/h5-7,9-13,21H,3-4,8,14-16H2,1-2H3
InChIKeyRCDPFOWNZATCPH-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.55
Rot. Bonds10

About N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine

N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 54804200) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID54804200
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCCOc1c(CNCc2ccccc2)cccc1OC
InChIInChI=1S/C20H27NO2/c1-3-4-8-14-23-20-18(12-9-13-19(20)22-2)16-21-15-17-10-6-5-7-11-17/h5-7,9-13,21H,3-4,8,14-16H2,1-2H3
InChIKeyRCDPFOWNZATCPH-UHFFFAOYSA-N
XLogP4.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.55
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-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
1-(4-tert-butylphenyl)-N-[(2-hexoxy-3-methoxyphenyl)methyl]methanamine
CID 54804594
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848693
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807813
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine (CID 54804200) is N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine is CCCCCOc1c(CNCc2ccccc2)cccc1OC.
What is the InChIKey of N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is RCDPFOWNZATCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-4-8-14-23-20-18(12-9-13-19(20)22-2)16-21-15-17-10-6-5-7-11-17/h5-7,9-13,21H,3-4,8,14-16H2,1-2H3.
What are the key properties of N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 54804200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).