2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline

C14H24N2O — CID 84754564

IUPAC2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCOc1cc(CNCC(C)C)ccc1N(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)9-15-10-12-6-7-13(16(3)4)14(8-12)17-5/h6-8,11,15H,9-10H2,1-5H3
InChIKeyRFQQOZDBCUAOQE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.51
Rot. Bonds6

About 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline

2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 84754564) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
PubChem CID84754564
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCOc1cc(CNCC(C)C)ccc1N(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)9-15-10-12-6-7-13(16(3)4)14(8-12)17-5/h6-8,11,15H,9-10H2,1-5H3
InChIKeyRFQQOZDBCUAOQE-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 84754579
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057486
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63058330
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63057656

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline (CID 84754564) is 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline is COc1cc(CNCC(C)C)ccc1N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is RFQQOZDBCUAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)9-15-10-12-6-7-13(16(3)4)14(8-12)17-5/h6-8,11,15H,9-10H2,1-5H3.
What are the key properties of 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 84754564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).