N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine

C18H30ClNO — CID 63476220

IUPACN-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)CC(C)OC(CNC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C18H30ClNO/c1-13(2)10-14(3)21-17(12-20-18(4,5)6)15-8-7-9-16(19)11-15/h7-9,11,13-14,17,20H,10,12H2,1-6H3
InChIKeyQCWCNZOQUYCBMU-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.22
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine

N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine (PubChem CID 63476220) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine
PubChem CID63476220
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC NameN-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)CC(C)OC(CNC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C18H30ClNO/c1-13(2)10-14(3)21-17(12-20-18(4,5)6)15-8-7-9-16(19)11-15/h7-9,11,13-14,17,20H,10,12H2,1-6H3
InChIKeyQCWCNZOQUYCBMU-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
N-tert-butyl-2-(3-chlorophenyl)-4-methylheptan-1-amine
CID 79443032
N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 103490153
1-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81370810
N-[2-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 55036653
1-[2-bromo-1-(2-methylpropoxy)ethyl]-3-chlorobenzene
CID 62112370
N-tert-butyl-2-(3-chlorophenyl)-5-ethoxypentan-1-amine
CID 79442507
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
1-chloro-3-(2-iodo-1-propan-2-yloxyethyl)benzene
CID 114772102

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine (CID 63476220) is N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine is CC(C)CC(C)OC(CNC(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is QCWCNZOQUYCBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-13(2)10-14(3)21-17(12-20-18(4,5)6)15-8-7-9-16(19)11-15/h7-9,11,13-14,17,20H,10,12H2,1-6H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine?
N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 311.90 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63476220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).