N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine

C16H27NO — CID 62595361

IUPACN-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCCNCC(C)(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-17-12-16(4,5)14-7-9-15(10-8-14)18-11-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyDIJVODPSBLSKRL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine

N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine (PubChem CID 62595361) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
PubChem CID62595361
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCCNCC(C)(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-17-12-16(4,5)14-7-9-15(10-8-14)18-11-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyDIJVODPSBLSKRL-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
CID 62595732
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
2-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626547
3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
CID 120500609
2-[[ethylamino-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111839083

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine (CID 62595361) is N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine is CCNCC(C)(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine?
The InChIKey is DIJVODPSBLSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17-12-16(4,5)14-7-9-15(10-8-14)18-11-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine?
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 62595361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).