4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine

C18H23NO — CID 43184619

IUPAC4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
SMILESCc1ccc(COc2ccc(CCC(C)N)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14-3-6-17(7-4-14)13-20-18-11-9-16(10-12-18)8-5-15(2)19/h3-4,6-7,9-12,15H,5,8,13,19H2,1-2H3
InChIKeyCRDCQIMSFNPWRD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.85
Rot. Bonds6

About 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine

4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine (PubChem CID 43184619) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
PubChem CID43184619
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
SMILESCc1ccc(COc2ccc(CCC(C)N)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14-3-6-17(7-4-14)13-20-18-11-9-16(10-12-18)8-5-15(2)19/h3-4,6-7,9-12,15H,5,8,13,19H2,1-2H3
InChIKeyCRDCQIMSFNPWRD-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene
CID 142912545
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine (CID 43184619) is 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine is Cc1ccc(COc2ccc(CCC(C)N)cc2)cc1.
What is the InChIKey of 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is CRDCQIMSFNPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-3-6-17(7-4-14)13-20-18-11-9-16(10-12-18)8-5-15(2)19/h3-4,6-7,9-12,15H,5,8,13,19H2,1-2H3.
What are the key properties of 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 43184619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).