N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine

C16H26ClNO2 — CID 62108478

IUPACN-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO2/c1-12(2)18-11-16(20-9-8-19-13(3)4)14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18H,8-9,11H2,1-4H3
InChIKeyXGSSLWDPJDSVCM-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.82
Rot. Bonds9

About N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine

N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine (PubChem CID 62108478) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
PubChem CID62108478
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC NameN-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO2/c1-12(2)18-11-16(20-9-8-19-13(3)4)14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18H,8-9,11H2,1-4H3
InChIKeyXGSSLWDPJDSVCM-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.82
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-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-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
CID 63556687
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942640
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
CID 115942665
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine (CID 62108478) is N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine is CC(C)NCC(OCCOC(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine?
The InChIKey is XGSSLWDPJDSVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-12(2)18-11-16(20-9-8-19-13(3)4)14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18H,8-9,11H2,1-4H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine?
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine has a molecular weight of 299.84 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62108478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).