N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine

C17H29NO2 — CID 103490209

IUPACN-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(OC(C)COCC)c1cccc(C)c1
InChIInChI=1S/C17H29NO2/c1-5-10-18-12-17(20-15(4)13-19-6-2)16-9-7-8-14(3)11-16/h7-9,11,15,17-18H,5-6,10,12-13H2,1-4H3
InChIKeyOCMKFWHWOJVXPU-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.48
Rot. Bonds10

About N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine

N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 103490209) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID103490209
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(OC(C)COCC)c1cccc(C)c1
InChIInChI=1S/C17H29NO2/c1-5-10-18-12-17(20-15(4)13-19-6-2)16-9-7-8-14(3)11-16/h7-9,11,15,17-18H,5-6,10,12-13H2,1-4H3
InChIKeyOCMKFWHWOJVXPU-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 62108388
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
N-[2-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 55036653
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine
CID 63476257
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 82006484
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 103490209) is N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNCC(OC(C)COCC)c1cccc(C)c1.
What is the InChIKey of N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is OCMKFWHWOJVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-10-18-12-17(20-15(4)13-19-6-2)16-9-7-8-14(3)11-16/h7-9,11,15,17-18H,5-6,10,12-13H2,1-4H3.
What are the key properties of N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103490209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).