N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine

C12H18ClNO2 — CID 65365864

IUPACN-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCOC)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-3-6-14-8-10-4-5-12(11(13)7-10)16-9-15-2/h4-5,7,14H,3,6,8-9H2,1-2H3
InChIKeyCXBLYSVHBSDGOD-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.82
Rot. Bonds7

About N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine

N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine (PubChem CID 65365864) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
PubChem CID65365864
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCOC)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-3-6-14-8-10-4-5-12(11(13)7-10)16-9-15-2/h4-5,7,14H,3,6,8-9H2,1-2H3
InChIKeyCXBLYSVHBSDGOD-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.82
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-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160
N-[[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032750
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17157638
methyl 3-[2-chloro-4-(propylaminomethyl)phenoxy]propanoate
CID 63949910
N-[[3-chloro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 55193837
N-[[4-(methoxymethoxy)-3-nitrophenyl]methyl]propan-1-amine
CID 65365601
4-[2-chloro-4-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361187
1-[2-chloro-4-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 114491891
N-[[3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106436895
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 81151267
N-[[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880396
N-[[3-chloro-4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722159

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine (CID 65365864) is N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCOC)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is CXBLYSVHBSDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-6-14-8-10-4-5-12(11(13)7-10)16-9-15-2/h4-5,7,14H,3,6,8-9H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine?
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 243.73 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 65365864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).