N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline

C21H30N2O — CID 113388939

IUPACN-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
SMILESCCNC(C)c1c(OC)cccc1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C21H30N2O/c1-6-22-17(4)21-19(13-10-14-20(21)24-5)23(16(2)3)15-18-11-8-7-9-12-18/h7-14,16-17,22H,6,15H2,1-5H3
InChIKeyNQSWSKPTGKXOHP-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.78
Rot. Bonds8

About N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline

N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline (PubChem CID 113388939) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
PubChem CID113388939
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
SMILESCCNC(C)c1c(OC)cccc1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C21H30N2O/c1-6-22-17(4)21-19(13-10-14-20(21)24-5)23(16(2)3)15-18-11-8-7-9-12-18/h7-14,16-17,22H,6,15H2,1-5H3
InChIKeyNQSWSKPTGKXOHP-UHFFFAOYSA-N
XLogP4.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 113389077
N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 43280633
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
CID 113389112
1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
CID 113389108
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline?
The IUPAC name of N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline (CID 113388939) is N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline?
The canonical SMILES for N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline is CCNC(C)c1c(OC)cccc1N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline?
The InChIKey is NQSWSKPTGKXOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-6-22-17(4)21-19(13-10-14-20(21)24-5)23(16(2)3)15-18-11-8-7-9-12-18/h7-14,16-17,22H,6,15H2,1-5H3.
What are the key properties of N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline?
N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline has a molecular weight of 326.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline is sourced from PubChem (CID 113388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).