N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine

C17H28N2 — CID 66183935

IUPACN-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
SMILESCCCc1ccc(C(C)N(CCC)C2CNC2)cc1
InChIInChI=1S/C17H28N2/c1-4-6-15-7-9-16(10-8-15)14(3)19(11-5-2)17-12-18-13-17/h7-10,14,17-18H,4-6,11-13H2,1-3H3
InChIKeyFUZIDMDZRUFRGP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds7

About N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine

N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine (PubChem CID 66183935) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
PubChem CID66183935
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
SMILESCCCc1ccc(C(C)N(CCC)C2CNC2)cc1
InChIInChI=1S/C17H28N2/c1-4-6-15-7-9-16(10-8-15)14(3)19(11-5-2)17-12-18-13-17/h7-10,14,17-18H,4-6,11-13H2,1-3H3
InChIKeyFUZIDMDZRUFRGP-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-methyl-N-[2-(4-propylphenyl)ethyl]azetidin-3-amine
CID 117040771
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine
CID 66181652
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
CID 66183584
azetidin-3-yl-(4-propylphenyl)methanamine
CID 116935291
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine
CID 66183932

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine?
The IUPAC name of N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine (CID 66183935) is N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine?
The canonical SMILES for N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine is CCCc1ccc(C(C)N(CCC)C2CNC2)cc1.
What is the InChIKey of N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine?
The InChIKey is FUZIDMDZRUFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-15-7-9-16(10-8-15)14(3)19(11-5-2)17-12-18-13-17/h7-10,14,17-18H,4-6,11-13H2,1-3H3.
What are the key properties of N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine?
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 66183935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).