2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine

C17H21NO — CID 54233286

IUPAC2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CC(C)(C)N)cc2)c1
InChIInChI=1S/C17H21NO/c1-13-5-4-6-16(11-13)19-15-9-7-14(8-10-15)12-17(2,3)18/h4-11H,12,18H2,1-3H3
InChIKeyQKTWNUVKPYHLQS-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.07
Rot. Bonds4

About 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine

2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine (PubChem CID 54233286) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
PubChem CID54233286
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CC(C)(C)N)cc2)c1
InChIInChI=1S/C17H21NO/c1-13-5-4-6-16(11-13)19-15-9-7-14(8-10-15)12-17(2,3)18/h4-11H,12,18H2,1-3H3
InChIKeyQKTWNUVKPYHLQS-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
3-methylaniline;1-methyl-3-phenoxybenzene
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N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide
CID 119987959
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
5-[4-(3-methylphenoxy)phenyl]pentan-1-ol
CID 139655740
ethyl 4-[4-(2-amino-2-methylpropyl)phenoxy]benzoate
CID 22147767
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 19069340
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine (CID 54233286) is 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine is Cc1cccc(Oc2ccc(CC(C)(C)N)cc2)c1.
What is the InChIKey of 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine?
The InChIKey is QKTWNUVKPYHLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-5-4-6-16(11-13)19-15-9-7-14(8-10-15)12-17(2,3)18/h4-11H,12,18H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine?
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 54233286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).