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

C19H25NO — CID 63497350

IUPAC2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCc1cccc(OCc2cccc(CNCC(C)C)c2)c1
InChIInChI=1S/C19H25NO/c1-15(2)12-20-13-17-7-5-8-18(11-17)14-21-19-9-4-6-16(3)10-19/h4-11,15,20H,12-14H2,1-3H3
InChIKeyLYDHBWFHKUKAQP-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.32
Rot. Bonds7

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

2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine (PubChem CID 63497350) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
PubChem CID63497350
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCc1cccc(OCc2cccc(CNCC(C)C)c2)c1
InChIInChI=1S/C19H25NO/c1-15(2)12-20-13-17-7-5-8-18(11-17)14-21-19-9-4-6-16(3)10-19/h4-11,15,20H,12-14H2,1-3H3
InChIKeyLYDHBWFHKUKAQP-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
N-[[3-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486876
N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486878
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63055724
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79626708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine (CID 63497350) is 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine is Cc1cccc(OCc2cccc(CNCC(C)C)c2)c1.
What is the InChIKey of 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is LYDHBWFHKUKAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)12-20-13-17-7-5-8-18(11-17)14-21-19-9-4-6-16(3)10-19/h4-11,15,20H,12-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63497350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).