N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine

C14H21Cl2NO2 — CID 139829410

IUPACN-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine
SMILESCOC(CCNC(C)(C)c1cc(Cl)cc(Cl)c1)OC
InChIInChI=1S/C14H21Cl2NO2/c1-14(2,17-6-5-13(18-3)19-4)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3
InChIKeyOGDQZFISUGKXQQ-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine

N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine (PubChem CID 139829410) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine
PubChem CID139829410
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC NameN-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine
SMILESCOC(CCNC(C)(C)c1cc(Cl)cc(Cl)c1)OC
InChIInChI=1S/C14H21Cl2NO2/c1-14(2,17-6-5-13(18-3)19-4)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3
InChIKeyOGDQZFISUGKXQQ-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine?
The IUPAC name of N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine (CID 139829410) is N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine is COC(CCNC(C)(C)c1cc(Cl)cc(Cl)c1)OC.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine?
The InChIKey is OGDQZFISUGKXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-14(2,17-6-5-13(18-3)19-4)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3.
What are the key properties of N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine?
N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine has a molecular weight of 306.23 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine is sourced from PubChem (CID 139829410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).