1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine

C14H20ClNO — CID 105182676

IUPAC1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
SMILESC=C(C)CCC(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C14H20ClNO/c1-11(2)4-7-13(16-3)10-17-14-8-5-12(15)6-9-14/h5-6,8-9,13,16H,1,4,7,10H2,2-3H3
InChIKeyGBDVGZNKAAJNQV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.66
Rot. Bonds7

About 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine

1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine (PubChem CID 105182676) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
PubChem CID105182676
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
SMILESC=C(C)CCC(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C14H20ClNO/c1-11(2)4-7-13(16-3)10-17-14-8-5-12(15)6-9-14/h5-6,8-9,13,16H,1,4,7,10H2,2-3H3
InChIKeyGBDVGZNKAAJNQV-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-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

1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
CID 105127338
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
1-(4-chlorophenyl)sulfanyl-N,5-dimethylhex-5-en-2-amine
CID 114475112
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158
1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 105096561
1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264
1-(4-ethylphenoxy)-N-methylbutan-2-amine
CID 62038493
1-(4-chlorophenoxy)-N-ethyl-4-methylhexan-2-amine
CID 105138305
N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
[1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105287885

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine (CID 105182676) is 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine is C=C(C)CCC(COc1ccc(Cl)cc1)NC.
What is the InChIKey of 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine?
The InChIKey is GBDVGZNKAAJNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(2)4-7-13(16-3)10-17-14-8-5-12(15)6-9-14/h5-6,8-9,13,16H,1,4,7,10H2,2-3H3.
What are the key properties of 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine?
1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine is sourced from PubChem (CID 105182676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).