1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine

C17H20N2O — CID 59681853

IUPAC1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C17H20N2O/c18-15-10-11-19(13-15)12-14-6-8-17(9-7-14)20-16-4-2-1-3-5-16/h1-9,15H,10-13,18H2
InChIKeyAVGIYDFQEZRALC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.01
Rot. Bonds4

About 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine

1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 59681853) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID59681853
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C17H20N2O/c18-15-10-11-19(13-15)12-14-6-8-17(9-7-14)20-16-4-2-1-3-5-16/h1-9,15H,10-13,18H2
InChIKeyAVGIYDFQEZRALC-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39288925
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine (CID 59681853) is 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is AVGIYDFQEZRALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-15-10-11-19(13-15)12-14-6-8-17(9-7-14)20-16-4-2-1-3-5-16/h1-9,15H,10-13,18H2.
What are the key properties of 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine?
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 59681853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).