N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine

C14H21Cl2NO — CID 103779812

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
SMILESCOCCCCCNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-11(17-9-4-3-5-10-18-2)12-7-6-8-13(15)14(12)16/h6-8,11,17H,3-5,9-10H2,1-2H3
InChIKeyDOGIXYDPWIFVOK-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.46
Rot. Bonds8

About N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine

N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine (PubChem CID 103779812) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
PubChem CID103779812
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
SMILESCOCCCCCNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-11(17-9-4-3-5-10-18-2)12-7-6-8-13(15)14(12)16/h6-8,11,17H,3-5,9-10H2,1-2H3
InChIKeyDOGIXYDPWIFVOK-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
N-[1-(2,3-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103779145
N-[1-(2,3-dichlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 113259673
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
2-(2,3-dichlorophenyl)-2-(3-methoxypropylamino)acetonitrile
CID 112500817
1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 103784583
N-[1-(2,3-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 103776344
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
CID 65092620
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059
3-[2-[1-(2,3-dichlorophenyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781904

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine (CID 103779812) is N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine is COCCCCCNC(C)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine?
The InChIKey is DOGIXYDPWIFVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-11(17-9-4-3-5-10-18-2)12-7-6-8-13(15)14(12)16/h6-8,11,17H,3-5,9-10H2,1-2H3.
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine?
N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine is sourced from PubChem (CID 103779812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).