(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine

C20H27NO — CID 29221946

IUPAC(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1ccccc1CN[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H27NO/c1-3-15-22-20-12-8-7-11-19(20)16-21-17(2)13-14-18-9-5-4-6-10-18/h4-12,17,21H,3,13-16H2,1-2H3/t17-/m1/s1
InChIKeyQOWFVZNPPBYCFZ-QGZVFWFLSA-N
MW297.44 g/mol
LogP4.59
Rot. Bonds9

About (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine

(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine (PubChem CID 29221946) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
PubChem CID29221946
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1ccccc1CN[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H27NO/c1-3-15-22-20-12-8-7-11-19(20)16-21-17(2)13-14-18-9-5-4-6-10-18/h4-12,17,21H,3,13-16H2,1-2H3/t17-/m1/s1
InChIKeyQOWFVZNPPBYCFZ-QGZVFWFLSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(5-bromo-2-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 29224851
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 66535562
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
(2S)-N-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51988416
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211084
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51990859
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439

Frequently Asked Questions

What is the IUPAC name of (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine (CID 29221946) is (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine is CCCOc1ccccc1CN[C@H](C)CCc1ccccc1.
What is the InChIKey of (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine?
The InChIKey is QOWFVZNPPBYCFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-15-22-20-12-8-7-11-19(20)16-21-17(2)13-14-18-9-5-4-6-10-18/h4-12,17,21H,3,13-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine?
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 29221946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).