N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine

C19H25NO — CID 63486234

IUPACN-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(COc2ccc(C)cc2CNC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-14(2)20-12-18-11-16(4)7-10-19(18)21-13-17-8-5-15(3)6-9-17/h5-11,14,20H,12-13H2,1-4H3
InChIKeyAJGBXXFYNQZMQG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.38
Rot. Bonds6

About N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine

N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 63486234) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID63486234
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(COc2ccc(C)cc2CNC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-14(2)20-12-18-11-16(4)7-10-19(18)21-13-17-8-5-15(3)6-9-17/h5-11,14,20H,12-13H2,1-4H3
InChIKeyAJGBXXFYNQZMQG-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107696082
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 63486928
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63326875
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63323185
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine (CID 63486234) is N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine is Cc1ccc(COc2ccc(C)cc2CNC(C)C)cc1.
What is the InChIKey of N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is AJGBXXFYNQZMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)20-12-18-11-16(4)7-10-19(18)21-13-17-8-5-15(3)6-9-17/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63486234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).