N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine

C15H24ClNO2 — CID 105008460

IUPACN-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1ccc(Cl)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-8-17-14(11-19-9-5-2)13-7-6-12(16)10-15(13)18-3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyYYQYXSQYRMFCNZ-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.82
Rot. Bonds9

About N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine

N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine (PubChem CID 105008460) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine
PubChem CID105008460
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC NameN-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1ccc(Cl)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-8-17-14(11-19-9-5-2)13-7-6-12(16)10-15(13)18-3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyYYQYXSQYRMFCNZ-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 103523326
N-[1-(4-chloro-2,5-difluorophenyl)-2-propoxyethyl]propan-1-amine
CID 105008662
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
N-[1-(4-chloro-2-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104997749
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690
N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
CID 105008300
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
N-[(4-chloro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858611
1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine
CID 115859214
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine (CID 105008460) is N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine is CCCNC(COCCC)c1ccc(Cl)cc1OC.
What is the InChIKey of N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine?
The InChIKey is YYQYXSQYRMFCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-8-17-14(11-19-9-5-2)13-7-6-12(16)10-15(13)18-3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine?
N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine has a molecular weight of 285.81 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 105008460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).