2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline

C18H24N2O — CID 43750190

IUPAC2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2CN(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14(15-9-11-17(21-4)12-10-15)19-18-8-6-5-7-16(18)13-20(2)3/h5-12,14,19H,13H2,1-4H3
InChIKeyXUTYWNZINBTQGZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.93
Rot. Bonds6

About 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline

2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline (PubChem CID 43750190) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
PubChem CID43750190
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2CN(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14(15-9-11-17(21-4)12-10-15)19-18-8-6-5-7-16(18)13-20(2)3/h5-12,14,19H,13H2,1-4H3
InChIKeyXUTYWNZINBTQGZ-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
CID 43750131
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041915
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-[1-(4-methoxyphenyl)ethyl]quinolin-8-amine
CID 43191660
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
CID 43750075
N-[1-(4-methoxyphenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374245

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline (CID 43750190) is 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccccc2CN(C)C)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is XUTYWNZINBTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(15-9-11-17(21-4)12-10-15)19-18-8-6-5-7-16(18)13-20(2)3/h5-12,14,19H,13H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline?
2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43750190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).