N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline

C14H22N2 — CID 43284542

IUPACN-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline
SMILESCCN(c1ccc(C(C)NC)cc1)C1CC1
InChIInChI=1S/C14H22N2/c1-4-16(14-9-10-14)13-7-5-12(6-8-13)11(2)15-3/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyATPVXOJDVBIGDM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline

N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline (PubChem CID 43284542) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline
PubChem CID43284542
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline
SMILESCCN(c1ccc(C(C)NC)cc1)C1CC1
InChIInChI=1S/C14H22N2/c1-4-16(14-9-10-14)13-7-5-12(6-8-13)11(2)15-3/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyATPVXOJDVBIGDM-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284232
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
CID 43614157
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001779
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine
CID 64740574
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236805
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 79313774
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline (CID 43284542) is N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline is CCN(c1ccc(C(C)NC)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline?
The InChIKey is ATPVXOJDVBIGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-16(14-9-10-14)13-7-5-12(6-8-13)11(2)15-3/h5-8,11,14-15H,4,9-10H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline?
N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 43284542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).