N-[(2-methoxyphenyl)methyl]propan-2-amine

C11H17NO — CID 11458027

IUPACN-[(2-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccccc1CNC(C)C
InChIInChI=1S/C11H17NO/c1-9(2)12-8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
InChIKeyCWHRRDWIVPFDOQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.19
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]propan-2-amine

N-[(2-methoxyphenyl)methyl]propan-2-amine (PubChem CID 11458027) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]propan-2-amine
PubChem CID11458027
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccccc1CNC(C)C
InChIInChI=1S/C11H17NO/c1-9(2)12-8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
InChIKeyCWHRRDWIVPFDOQ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107710311
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62139060
N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43283291
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963960
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]propan-2-amine (CID 11458027) is N-[(2-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]propan-2-amine is COc1ccccc1CNC(C)C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is CWHRRDWIVPFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)12-8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]propan-2-amine?
N-[(2-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 11458027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).