N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine

C31H33NO3 — CID 170120843

IUPACN-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine
SMILESCNCCCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C31H33NO3/c1-32-19-11-18-28-20-29(33-22-25-12-5-2-6-13-25)31(35-24-27-16-9-4-10-17-27)30(21-28)34-23-26-14-7-3-8-15-26/h2-10,12-17,20-21,32H,11,18-19,22-24H2,1H3
InChIKeyFKKPQUIWEIBDNR-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.58
Rot. Bonds13

About N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine

N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine (PubChem CID 170120843) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine
PubChem CID170120843
Molecular FormulaC31H33NO3
Molecular Weight467.61 g/mol
Exact Mass467.25
IUPAC NameN-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine
SMILESCNCCCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C31H33NO3/c1-32-19-11-18-28-20-29(33-22-25-12-5-2-6-13-25)31(35-24-27-16-9-4-10-17-27)30(21-28)34-23-26-14-7-3-8-15-26/h2-10,12-17,20-21,32H,11,18-19,22-24H2,1H3
InChIKeyFKKPQUIWEIBDNR-UHFFFAOYSA-N
XLogP6.58
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.58
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

5-(3-bromopropyl)-1,2,3-tris(phenylmethoxy)benzene
CID 11103292
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
N-[2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethyl]-2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 45047916
5-pentyl-2,3-bis(phenylmethoxy)benzoic acid
CID 118026037
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
CID 86653767
N-methyl-9-phenylnonan-1-amine
CID 10609702
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine?
The IUPAC name of N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine (CID 170120843) is N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine is CNCCCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine?
The InChIKey is FKKPQUIWEIBDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3/c1-32-19-11-18-28-20-29(33-22-25-12-5-2-6-13-25)31(35-24-27-16-9-4-10-17-27)30(21-28)34-23-26-14-7-3-8-15-26/h2-10,12-17,20-21,32H,11,18-19,22-24H2,1H3.
What are the key properties of N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine?
N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine has a molecular weight of 467.61 g/mol, XLogP of 6.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 170120843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).