[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine

C18H23NO — CID 116926185

IUPAC[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine
SMILESCOc1ccc(C(C)C)cc1Cc1cccc(CN)c1
InChIInChI=1S/C18H23NO/c1-13(2)16-7-8-18(20-3)17(11-16)10-14-5-4-6-15(9-14)12-19/h4-9,11,13H,10,12,19H2,1-3H3
InChIKeyFTUDVPXEGZKECY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.87
Rot. Bonds5

About [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine

[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine (PubChem CID 116926185) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine
PubChem CID116926185
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine
SMILESCOc1ccc(C(C)C)cc1Cc1cccc(CN)c1
InChIInChI=1S/C18H23NO/c1-13(2)16-7-8-18(20-3)17(11-16)10-14-5-4-6-15(9-14)12-19/h4-9,11,13H,10,12,19H2,1-3H3
InChIKeyFTUDVPXEGZKECY-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
CID 116926180
4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
CID 116926089
(3-propan-2-ylphenyl)methanamine
CID 21085835
3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine
CID 82086137
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
CID 112513404
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131889
3-[(3-methoxyphenyl)methyl]-1,4-dimethyl-7-propan-2-ylazulene
CID 101446291
2-amino-3-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116849515

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine (CID 116926185) is [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine is COc1ccc(C(C)C)cc1Cc1cccc(CN)c1.
What is the InChIKey of [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine?
The InChIKey is FTUDVPXEGZKECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-7-8-18(20-3)17(11-16)10-14-5-4-6-15(9-14)12-19/h4-9,11,13H,10,12,19H2,1-3H3.
What are the key properties of [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine?
[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine is sourced from PubChem (CID 116926185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).