1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

C13H20ClNO — CID 82720395

IUPAC1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCC(NOC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-5-12(15-16-13(2,3)4)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3
InChIKeyKQPWPZDSNVKACV-UHFFFAOYSA-N
MW241.76 g/mol
LogP4.11
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 82720395) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID82720395
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCC(NOC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-5-12(15-16-13(2,3)4)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3
InChIKeyKQPWPZDSNVKACV-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 104663679
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
CID 61210694
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
tert-butyl N-[1-[1-(3-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107250522
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 82720395) is 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is CCC(NOC(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is KQPWPZDSNVKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-12(15-16-13(2,3)4)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 82720395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).