[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine

C18H23NO — CID 43169662

IUPAC[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
SMILESCC(C)(C)c1cccc(OCc2ccccc2CN)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)16-9-6-10-17(11-16)20-13-15-8-5-4-7-14(15)12-19/h4-11H,12-13,19H2,1-3H3
InChIKeyAQAUSSKGKSXWBH-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.02
Rot. Bonds4

About [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine

[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine (PubChem CID 43169662) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
PubChem CID43169662
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
SMILESCC(C)(C)c1cccc(OCc2ccccc2CN)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)16-9-6-10-17(11-16)20-13-15-8-5-4-7-14(15)12-19/h4-11H,12-13,19H2,1-3H3
InChIKeyAQAUSSKGKSXWBH-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43169661
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
CID 43351837
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548
3-[(3-tert-butylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074328
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259
3-bromo-2-[(3-tert-butylphenoxy)methyl]aniline
CID 43351777

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine (CID 43169662) is [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine is CC(C)(C)c1cccc(OCc2ccccc2CN)c1.
What is the InChIKey of [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine?
The InChIKey is AQAUSSKGKSXWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2,3)16-9-6-10-17(11-16)20-13-15-8-5-4-7-14(15)12-19/h4-11H,12-13,19H2,1-3H3.
What are the key properties of [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine?
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 43169662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).