1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine

C18H23NO — CID 60908081

IUPAC1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1OCc1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-3-17(19)12-16-6-4-5-7-18(16)20-13-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13,19H2,1-2H3
InChIKeyNQQKRLNLAOOSMH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine

1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine (PubChem CID 60908081) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
PubChem CID60908081
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1OCc1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-3-17(19)12-16-6-4-5-7-18(16)20-13-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13,19H2,1-2H3
InChIKeyNQQKRLNLAOOSMH-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-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
1-[2-(2,3-dichloroprop-2-enoxy)phenyl]butan-2-amine
CID 79174196
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene
CID 143786754
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
1-[2-(3,5-dimethylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889352
1-[2-(2-bromo-4-methylphenoxy)phenyl]butan-2-amine
CID 63802120
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine (CID 60908081) is 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccccc1OCc1ccc(C)cc1.
What is the InChIKey of 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is NQQKRLNLAOOSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-17(19)12-16-6-4-5-7-18(16)20-13-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13,19H2,1-2H3.
What are the key properties of 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine?
1-[2-[(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 1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60908081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).