N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine

C15H24ClNO — CID 62108651

IUPACN-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
SMILESCC(C)COC(CNC(C)C)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-11(2)10-18-15(9-17-12(3)4)13-7-5-6-8-14(13)16/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyHNZPBMFKXOIIMX-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.05
Rot. Bonds7

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

N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine (PubChem CID 62108651) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
PubChem CID62108651
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
SMILESCC(C)COC(CNC(C)C)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-11(2)10-18-15(9-17-12(3)4)13-7-5-6-8-14(13)16/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyHNZPBMFKXOIIMX-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
N-[2-(2-chlorophenyl)-2-(3,3-dimethylbutoxy)ethyl]propan-2-amine
CID 66226677
N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942620
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62986141
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82006977
N-[2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106449233
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204942

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine (CID 62108651) is N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine is CC(C)COC(CNC(C)C)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine?
The InChIKey is HNZPBMFKXOIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11(2)10-18-15(9-17-12(3)4)13-7-5-6-8-14(13)16/h5-8,11-12,15,17H,9-10H2,1-4H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine?
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62108651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).