2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide

C16H23ClN2O2 — CID 114319211

IUPAC2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-19(4-2)16(20)11-21-15-7-5-6-14(17)13(15)10-18-12-8-9-12/h5-7,12,18H,3-4,8-11H2,1-2H3
InChIKeyVQHGGOYPNKNPBX-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.84
Rot. Bonds8

About 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide

2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide (PubChem CID 114319211) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
PubChem CID114319211
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-19(4-2)16(20)11-21-15-7-5-6-14(17)13(15)10-18-12-8-9-12/h5-7,12,18H,3-4,8-11H2,1-2H3
InChIKeyVQHGGOYPNKNPBX-UHFFFAOYSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
CID 63326550
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide (CID 114319211) is 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide?
The InChIKey is VQHGGOYPNKNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-19(4-2)16(20)11-21-15-7-5-6-14(17)13(15)10-18-12-8-9-12/h5-7,12,18H,3-4,8-11H2,1-2H3.
What are the key properties of 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide?
2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide has a molecular weight of 310.83 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 114319211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).