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

C14H22ClNO — CID 55036697

IUPACN-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNCC(OCCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-9-16-11-14(17-10-4-2)12-5-7-13(15)8-6-12/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyCGINNWVNBDLSTJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.81
Rot. Bonds8

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

N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine (PubChem CID 55036697) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine
PubChem CID55036697
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNCC(OCCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-9-16-11-14(17-10-4-2)12-5-7-13(15)8-6-12/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyCGINNWVNBDLSTJ-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.81
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-[2-(4-chlorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62109739
N-[2-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66275084
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
N-[2-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958751
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62108346
1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene
CID 143373056
N-ethyl-2-(4-methoxyphenyl)-2-propoxyethanamine
CID 55036698
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine (CID 55036697) is N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine is CCCNCC(OCCC)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine?
The InChIKey is CGINNWVNBDLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-9-16-11-14(17-10-4-2)12-5-7-13(15)8-6-12/h5-8,14,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 55036697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).