N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine

C17H21NO2 — CID 82708959

IUPACN-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CNOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(2)20-17-10-8-15(9-11-17)12-18-19-13-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyUAKZLYIAQVZXLC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.70
Rot. Bonds7

About N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine

N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 82708959) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID82708959
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CNOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(2)20-17-10-8-15(9-11-17)12-18-19-13-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyUAKZLYIAQVZXLC-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.70
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

1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
1-benzyl-2-methyl-3-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110954948
ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 176995208
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 120511546
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 2048004
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine (CID 82708959) is N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(CNOCc2ccccc2)cc1.
What is the InChIKey of N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is UAKZLYIAQVZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14(2)20-17-10-8-15(9-11-17)12-18-19-13-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine?
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 82708959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).