N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine

C19H25NO — CID 43221152

IUPACN-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCOc1cccc(CNC(C)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25NO/c1-14(2)17-8-10-18(11-9-17)15(3)20-13-16-6-5-7-19(12-16)21-4/h5-12,14-15,20H,13H2,1-4H3
InChIKeyHZZARKXQHNVKAH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.67
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine

N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43221152) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43221152
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCOc1cccc(CNC(C)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25NO/c1-14(2)17-8-10-18(11-9-17)15(3)20-13-16-6-5-7-19(12-16)21-4/h5-12,14-15,20H,13H2,1-4H3
InChIKeyHZZARKXQHNVKAH-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 60871822
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 43230853
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 61336092

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 43221152) is N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine is COc1cccc(CNC(C)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HZZARKXQHNVKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)17-8-10-18(11-9-17)15(3)20-13-16-6-5-7-19(12-16)21-4/h5-12,14-15,20H,13H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43221152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).