2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine

C17H21NO — CID 105349042

IUPAC2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(11-18)17-9-7-16(8-10-17)13-19-12-15-5-3-2-4-6-15/h2-10,14H,11-13,18H2,1H3
InChIKeyXXOBYRNDSJAJBJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine

2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine (PubChem CID 105349042) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine
PubChem CID105349042
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(11-18)17-9-7-16(8-10-17)13-19-12-15-5-3-2-4-6-15/h2-10,14H,11-13,18H2,1H3
InChIKeyXXOBYRNDSJAJBJ-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-methylpentoxymethyl)phenyl]propan-1-amine
CID 105349727
2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
CID 105349646
2-(4-phenoxyphenyl)propan-1-amine
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2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
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CID 66734377
CID 66734377
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CID 11701294
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
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CID 87392963
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CID 70181699
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine (CID 105349042) is 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine is CC(CN)c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine?
The InChIKey is XXOBYRNDSJAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(11-18)17-9-7-16(8-10-17)13-19-12-15-5-3-2-4-6-15/h2-10,14H,11-13,18H2,1H3.
What are the key properties of 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine?
2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).