N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine

C18H23NO2 — CID 82710597

IUPACN-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
SMILESCC(C)CONCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15(2)13-21-19-12-16-8-10-18(11-9-16)20-14-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3
InChIKeyHXJKFPRRLIGXFK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds8

About N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine

N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine (PubChem CID 82710597) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
PubChem CID82710597
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
SMILESCC(C)CONCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15(2)13-21-19-12-16-8-10-18(11-9-16)20-14-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3
InChIKeyHXJKFPRRLIGXFK-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084
N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine
CID 79091447
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine?
The IUPAC name of N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine (CID 82710597) is N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine is CC(C)CONCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine?
The InChIKey is HXJKFPRRLIGXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(2)13-21-19-12-16-8-10-18(11-9-16)20-14-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine?
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 82710597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).