1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine

C15H23Cl2NO — CID 43515702

IUPAC1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
SMILESCCCCCCCOc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C15H23Cl2NO/c1-3-4-5-6-7-8-19-15-12(11-18-2)9-13(16)10-14(15)17/h9-10,18H,3-8,11H2,1-2H3
InChIKeyGVPLIZZULWUFIW-UHFFFAOYSA-N
MW304.26 g/mol
LogP5.06
Rot. Bonds9

About 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine

1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine (PubChem CID 43515702) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
PubChem CID43515702
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
SMILESCCCCCCCOc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C15H23Cl2NO/c1-3-4-5-6-7-8-19-15-12(11-18-2)9-13(16)10-14(15)17/h9-10,18H,3-8,11H2,1-2H3
InChIKeyGVPLIZZULWUFIW-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.26
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43515683
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine (CID 43515702) is 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine is CCCCCCCOc1c(Cl)cc(Cl)cc1CNC.
What is the InChIKey of 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine?
The InChIKey is GVPLIZZULWUFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-4-5-6-7-8-19-15-12(11-18-2)9-13(16)10-14(15)17/h9-10,18H,3-8,11H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine?
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine has a molecular weight of 304.26 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43515702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).