N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline

C16H28N2O — CID 84750453

IUPACN,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
SMILESCCNCc1ccc(N(CC)CC)c(OC(C)C)c1
InChIInChI=1S/C16H28N2O/c1-6-17-12-14-9-10-15(18(7-2)8-3)16(11-14)19-13(4)5/h9-11,13,17H,6-8,12H2,1-5H3
InChIKeyKMPPCQCXDRNDHX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.43
Rot. Bonds8

About N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline

N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline (PubChem CID 84750453) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
PubChem CID84750453
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
SMILESCCNCc1ccc(N(CC)CC)c(OC(C)C)c1
InChIInChI=1S/C16H28N2O/c1-6-17-12-14-9-10-15(18(7-2)8-3)16(11-14)19-13(4)5/h9-11,13,17H,6-8,12H2,1-5H3
InChIKeyKMPPCQCXDRNDHX-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.43
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-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
2-[[4-[ethyl(2-hydroxyethyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750410
N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
CID 84750306
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
2-[[4-[butyl(methyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750589
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
CID 84750377
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
CID 84749361

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline?
The IUPAC name of N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline (CID 84750453) is N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline.
What is the SMILES notation for N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline?
The canonical SMILES for N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline is CCNCc1ccc(N(CC)CC)c(OC(C)C)c1.
What is the InChIKey of N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline?
The InChIKey is KMPPCQCXDRNDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-17-12-14-9-10-15(18(7-2)8-3)16(11-14)19-13(4)5/h9-11,13,17H,6-8,12H2,1-5H3.
What are the key properties of N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline?
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline has a molecular weight of 264.41 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 84750453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).