[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine

C18H23NO — CID 43174546

IUPAC[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
SMILESCC(C)CCOc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)11-12-20-18-9-7-17(8-10-18)16-5-3-15(13-19)4-6-16/h3-10,14H,11-13,19H2,1-2H3
InChIKeyDGJOLJVLMIWCEM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds6

About [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine

[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine (PubChem CID 43174546) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
PubChem CID43174546
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
SMILESCC(C)CCOc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)11-12-20-18-9-7-17(8-10-18)16-5-3-15(13-19)4-6-16/h3-10,14H,11-13,19H2,1-2H3
InChIKeyDGJOLJVLMIWCEM-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine?
The IUPAC name of [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine (CID 43174546) is [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine is CC(C)CCOc1ccc(-c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine?
The InChIKey is DGJOLJVLMIWCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)11-12-20-18-9-7-17(8-10-18)16-5-3-15(13-19)4-6-16/h3-10,14H,11-13,19H2,1-2H3.
What are the key properties of [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine?
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 43174546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).