N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine

C16H24ClNO — CID 62486274

IUPACN-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
SMILESCc1cc(OC(C)CCCNC2CC2)cc(C)c1Cl
InChIInChI=1S/C16H24ClNO/c1-11-9-15(10-12(2)16(11)17)19-13(3)5-4-8-18-14-6-7-14/h9-10,13-14,18H,4-8H2,1-3H3
InChIKeyMWYRDNKIVQHJRV-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.26
Rot. Bonds7

About N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine

N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine (PubChem CID 62486274) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
PubChem CID62486274
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
SMILESCc1cc(OC(C)CCCNC2CC2)cc(C)c1Cl
InChIInChI=1S/C16H24ClNO/c1-11-9-15(10-12(2)16(11)17)19-13(3)5-4-8-18-14-6-7-14/h9-10,13-14,18H,4-8H2,1-3H3
InChIKeyMWYRDNKIVQHJRV-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine 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-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
CID 62485336
N-[4-(3-bromophenoxy)pentyl]cyclopropanamine
CID 55076658
4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine
CID 62453415
N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
CID 63649238
N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496116
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
N-(4-hexoxypentyl)cyclopropanamine
CID 62455519

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine (CID 62486274) is N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine is Cc1cc(OC(C)CCCNC2CC2)cc(C)c1Cl.
What is the InChIKey of N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine?
The InChIKey is MWYRDNKIVQHJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11-9-15(10-12(2)16(11)17)19-13(3)5-4-8-18-14-6-7-14/h9-10,13-14,18H,4-8H2,1-3H3.
What are the key properties of N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine?
N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 62486274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).