4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine

C19H25NO — CID 83952087

IUPAC4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
SMILESCc1ccc(C)c(COc2cccc(CCC(C)N)c2)c1
InChIInChI=1S/C19H25NO/c1-14-7-8-15(2)18(11-14)13-21-19-6-4-5-17(12-19)10-9-16(3)20/h4-8,11-12,16H,9-10,13,20H2,1-3H3
InChIKeyRHSMQJOGYUYWRP-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.16
Rot. Bonds6

About 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine

4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine (PubChem CID 83952087) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
PubChem CID83952087
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
SMILESCc1ccc(C)c(COc2cccc(CCC(C)N)c2)c1
InChIInChI=1S/C19H25NO/c1-14-7-8-15(2)18(11-14)13-21-19-6-4-5-17(12-19)10-9-16(3)20/h4-8,11-12,16H,9-10,13,20H2,1-3H3
InChIKeyRHSMQJOGYUYWRP-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 61482062
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
CID 83953119
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
CID 83952092

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine (CID 83952087) is 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine is Cc1ccc(C)c(COc2cccc(CCC(C)N)c2)c1.
What is the InChIKey of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is RHSMQJOGYUYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-7-8-15(2)18(11-14)13-21-19-6-4-5-17(12-19)10-9-16(3)20/h4-8,11-12,16H,9-10,13,20H2,1-3H3.
What are the key properties of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine?
4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 83952087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).