N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid

C17H28ClNO3 — CID 143691612

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid
SMILESCC(Cc1cccc(Cl)c1)NC(C)(C)C.COCCC(=O)O
InChIInChI=1S/C13H20ClN.C4H8O3/c1-10(15-13(2,3)4)8-11-6-5-7-12(14)9-11;1-7-3-2-4(5)6/h5-7,9-10,15H,8H2,1-4H3;2-3H2,1H3,(H,5,6)
InChIKeyJAGCAVYJCXUBGO-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.77
Rot. Bonds6

About N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid

N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid (PubChem CID 143691612) has the molecular formula C17H28ClNO3 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid
PubChem CID143691612
Molecular FormulaC17H28ClNO3
Molecular Weight329.87 g/mol
Exact Mass329.18
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid
SMILESCC(Cc1cccc(Cl)c1)NC(C)(C)C.COCCC(=O)O
InChIInChI=1S/C13H20ClN.C4H8O3/c1-10(15-13(2,3)4)8-11-6-5-7-12(14)9-11;1-7-3-2-4(5)6/h5-7,9-10,15H,8H2,1-4H3;2-3H2,1H3,(H,5,6)
InChIKeyJAGCAVYJCXUBGO-UHFFFAOYSA-N
XLogP3.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
CID 62473376
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
2-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 120702084
3-[(3-chlorophenyl)methyl-(3-methoxypropyl)amino]propanoic acid
CID 82327680
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748
methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
CID 174512826
methyl 6-(3-chlorophenyl)-5-methylhexanoate
CID 174399912
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid (CID 143691612) is N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid is CC(Cc1cccc(Cl)c1)NC(C)(C)C.COCCC(=O)O.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid?
The InChIKey is JAGCAVYJCXUBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN.C4H8O3/c1-10(15-13(2,3)4)8-11-6-5-7-12(14)9-11;1-7-3-2-4(5)6/h5-7,9-10,15H,8H2,1-4H3;2-3H2,1H3,(H,5,6).
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid?
N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid has a molecular weight of 329.87 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid is sourced from PubChem (CID 143691612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).