N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine

C20H27NO2 — CID 60538872

IUPACN-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOCCN(Cc1ccccc1)Cc1ccccc1OC(C)C
InChIInChI=1S/C20H27NO2/c1-17(2)23-20-12-8-7-11-19(20)16-21(13-14-22-3)15-18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3
InChIKeyXHWWVYQUPRRRAW-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.12
Rot. Bonds9

About N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine

N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 60538872) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID60538872
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOCCN(Cc1ccccc1)Cc1ccccc1OC(C)C
InChIInChI=1S/C20H27NO2/c1-17(2)23-20-12-8-7-11-19(20)16-21(13-14-22-3)15-18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3
InChIKeyXHWWVYQUPRRRAW-UHFFFAOYSA-N
XLogP4.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(2-bromo-4-fluorophenyl)methyl]-2-methoxyethanamine
CID 99174052
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24713590
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 86616987

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 60538872) is N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is COCCN(Cc1ccccc1)Cc1ccccc1OC(C)C.
What is the InChIKey of N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is XHWWVYQUPRRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-17(2)23-20-12-8-7-11-19(20)16-21(13-14-22-3)15-18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3.
What are the key properties of N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60538872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).