N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine

C18H29NO2 — CID 62383877

IUPACN-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCC2CCOCC2)c1
InChIInChI=1S/C18H29NO2/c1-14(2)19-12-18(17-6-4-5-15(3)11-17)21-13-16-7-9-20-10-8-16/h4-6,11,14,16,18-19H,7-10,12-13H2,1-3H3
InChIKeyBAZZJPOJKHXSQH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine

N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine (PubChem CID 62383877) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
PubChem CID62383877
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCC2CCOCC2)c1
InChIInChI=1S/C18H29NO2/c1-14(2)19-12-18(17-6-4-5-15(3)11-17)21-13-16-7-9-20-10-8-16/h4-6,11,14,16,18-19H,7-10,12-13H2,1-3H3
InChIKeyBAZZJPOJKHXSQH-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410
N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
CID 62110909
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 62106007
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62106839
1-[2-bromo-1-(cyclohexylmethoxy)ethyl]-3-methylbenzene
CID 55193250
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 103285192
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol
CID 75515421

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine (CID 62383877) is N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine is Cc1cccc(C(CNC(C)C)OCC2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine?
The InChIKey is BAZZJPOJKHXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)19-12-18(17-6-4-5-15(3)11-17)21-13-16-7-9-20-10-8-16/h4-6,11,14,16,18-19H,7-10,12-13H2,1-3H3.
What are the key properties of N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine?
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62383877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).