N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine

C18H29NO — CID 65303492

IUPACN-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCc1c(C)c(C)c(CCOCCNC2CC2)c(C)c1C
InChIInChI=1S/C18H29NO/c1-12-13(2)15(4)18(16(5)14(12)3)8-10-20-11-9-19-17-6-7-17/h17,19H,6-11H2,1-5H3
InChIKeyWLSPEQPPMAYIOI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.54
Rot. Bonds7

About N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine

N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine (PubChem CID 65303492) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine
PubChem CID65303492
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCc1c(C)c(C)c(CCOCCNC2CC2)c(C)c1C
InChIInChI=1S/C18H29NO/c1-12-13(2)15(4)18(16(5)14(12)3)8-10-20-11-9-19-17-6-7-17/h17,19H,6-11H2,1-5H3
InChIKeyWLSPEQPPMAYIOI-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]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-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 83068746
N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine
CID 65303412
N-[2-[2-(5-chloro-4-methylthiophen-2-yl)ethoxy]ethyl]cyclopropanamine
CID 102765255
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 65303577
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
CID 107094281
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine (CID 65303492) is N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine is Cc1c(C)c(C)c(CCOCCNC2CC2)c(C)c1C.
What is the InChIKey of N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine?
The InChIKey is WLSPEQPPMAYIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-13(2)15(4)18(16(5)14(12)3)8-10-20-11-9-19-17-6-7-17/h17,19H,6-11H2,1-5H3.
What are the key properties of N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine?
N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 65303492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).