N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine

C12H16ClNO2 — CID 65365706

IUPACN-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
SMILESCOCOc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C12H16ClNO2/c1-15-8-16-12-5-2-10(13)6-9(12)7-14-11-3-4-11/h2,5-6,11,14H,3-4,7-8H2,1H3
InChIKeyOUNKKDIGPNMRKL-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.57
Rot. Bonds6

About N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 65365706) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
PubChem CID65365706
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
SMILESCOCOc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C12H16ClNO2/c1-15-8-16-12-5-2-10(13)6-9(12)7-14-11-3-4-11/h2,5-6,11,14H,3-4,7-8H2,1H3
InChIKeyOUNKKDIGPNMRKL-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883707
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 56814864
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine (CID 65365706) is N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine is COCOc1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is OUNKKDIGPNMRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-8-16-12-5-2-10(13)6-9(12)7-14-11-3-4-11/h2,5-6,11,14H,3-4,7-8H2,1H3.
What are the key properties of N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 241.72 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65365706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).