1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine

C17H21NO — CID 141183609

IUPAC1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(COC)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-17(18)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-19-2/h4-11,17H,3,12,18H2,1-2H3
InChIKeyFUMCBRVYHVUTAM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.91
Rot. Bonds5

About 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine

1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine (PubChem CID 141183609) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine
PubChem CID141183609
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(COC)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-17(18)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-19-2/h4-11,17H,3,12,18H2,1-2H3
InChIKeyFUMCBRVYHVUTAM-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-[4-(methoxymethyl)phenyl]ethanamine
CID 18507864
methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
CID 79013708
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-[4-(3-methoxyphenyl)phenyl]propan-1-amine
CID 54911575
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine (CID 141183609) is 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine is CCC(N)c1ccc(-c2ccc(COC)cc2)cc1.
What is the InChIKey of 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine?
The InChIKey is FUMCBRVYHVUTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-17(18)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-19-2/h4-11,17H,3,12,18H2,1-2H3.
What are the key properties of 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine?
1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine is sourced from PubChem (CID 141183609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).