(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine

C17H21NO2 — CID 102939494

IUPAC(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-2-17(18)15-8-10-16(11-9-15)20-13-19-12-14-6-4-3-5-7-14/h3-11,17H,2,12-13,18H2,1H3/t17-/m1/s1
InChIKeyYQDIZQBLVCTVQA-QGZVFWFLSA-N
MW271.36 g/mol
LogP3.65
Rot. Bonds7

About (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine

(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine (PubChem CID 102939494) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
PubChem CID102939494
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-2-17(18)15-8-10-16(11-9-15)20-13-19-12-14-6-4-3-5-7-14/h3-11,17H,2,12-13,18H2,1H3/t17-/m1/s1
InChIKeyYQDIZQBLVCTVQA-QGZVFWFLSA-N
XLogP3.65
TPSA44.48 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348
1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 10944951
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
CID 69422231
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
(1S)-3,3-difluoro-1-(4-phenylmethoxyphenyl)propan-1-amine
CID 171313225
(1S)-3-methyl-1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 171230798
3-[[4-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60878628

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine (CID 102939494) is (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCOCc2ccccc2)cc1.
What is the InChIKey of (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine?
The InChIKey is YQDIZQBLVCTVQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-17(18)15-8-10-16(11-9-15)20-13-19-12-14-6-4-3-5-7-14/h3-11,17H,2,12-13,18H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine?
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 102939494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).