N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine

C13H20ClNO2 — CID 113276725

IUPACN-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
SMILESCCOCOc1cccc(Cl)c1CNC(C)C
InChIInChI=1S/C13H20ClNO2/c1-4-16-9-17-13-7-5-6-12(14)11(13)8-15-10(2)3/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyHRKSLLNOGKOVOJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.21
Rot. Bonds7

About N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine

N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine (PubChem CID 113276725) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
PubChem CID113276725
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
SMILESCCOCOc1cccc(Cl)c1CNC(C)C
InChIInChI=1S/C13H20ClNO2/c1-4-16-9-17-13-7-5-6-12(14)11(13)8-15-10(2)3/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyHRKSLLNOGKOVOJ-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine
CID 106929383
N-[[2-chloro-6-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 114319708
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
N-[(2-but-3-enoxy-6-chlorophenyl)methyl]propan-2-amine
CID 113276717
N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722417
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282977
1-[[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 114319761
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
ethyl 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 114319582
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 114319688
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 114319661

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine (CID 113276725) is N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine is CCOCOc1cccc(Cl)c1CNC(C)C.
What is the InChIKey of N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is HRKSLLNOGKOVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-16-9-17-13-7-5-6-12(14)11(13)8-15-10(2)3/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 113276725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).