N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine

C16H26N2 — CID 113314751

IUPACN-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
SMILESCCNCCc1ccccc1CN(CC)C1CC1
InChIInChI=1S/C16H26N2/c1-3-17-12-11-14-7-5-6-8-15(14)13-18(4-2)16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyWEJQNEPOXCSMRD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds8

About N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine

N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine (PubChem CID 113314751) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
PubChem CID113314751
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
SMILESCCNCCc1ccccc1CN(CC)C1CC1
InChIInChI=1S/C16H26N2/c1-3-17-12-11-14-7-5-6-8-15(14)13-18(4-2)16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyWEJQNEPOXCSMRD-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
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-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 115463916
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463621
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115464114
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115581

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine (CID 113314751) is N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine is CCNCCc1ccccc1CN(CC)C1CC1.
What is the InChIKey of N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
The InChIKey is WEJQNEPOXCSMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-12-11-14-7-5-6-8-15(14)13-18(4-2)16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 113314751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).