5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine

C19H33NO — CID 63504935

IUPAC5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
SMILESCc1ccc(C(C)C)c(OCCNC(C)CCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)7-9-17(6)20-11-12-21-19-13-16(5)8-10-18(19)15(3)4/h8,10,13-15,17,20H,7,9,11-12H2,1-6H3
InChIKeyMIEDCVSHWOMYJF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.91
Rot. Bonds9

About 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine

5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine (PubChem CID 63504935) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
PubChem CID63504935
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
SMILESCc1ccc(C(C)C)c(OCCNC(C)CCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)7-9-17(6)20-11-12-21-19-13-16(5)8-10-18(19)15(3)4/h8,10,13-15,17,20H,7,9,11-12H2,1-6H3
InChIKeyMIEDCVSHWOMYJF-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571514
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54796892
5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63515560
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
5-methyl-N-(2-naphthalen-1-yloxyethyl)hexan-2-amine
CID 63505261
4-(2-ethoxyethoxy)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54801159
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine (CID 63504935) is 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine is Cc1ccc(C(C)C)c(OCCNC(C)CCC(C)C)c1.
What is the InChIKey of 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine?
The InChIKey is MIEDCVSHWOMYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)7-9-17(6)20-11-12-21-19-13-16(5)8-10-18(19)15(3)4/h8,10,13-15,17,20H,7,9,11-12H2,1-6H3.
What are the key properties of 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine?
5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine is sourced from PubChem (CID 63504935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).