N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine

C17H26N2O — CID 142720743

IUPACN-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1ccc(CN(C2CCCCC2)C2CNC2)cc1
InChIInChI=1S/C17H26N2O/c1-20-17-9-7-14(8-10-17)13-19(16-11-18-12-16)15-5-3-2-4-6-15/h7-10,15-16,18H,2-6,11-13H2,1H3
InChIKeySQVUZPLWEGVUPJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds5

About N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine

N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine (PubChem CID 142720743) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
PubChem CID142720743
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1ccc(CN(C2CCCCC2)C2CNC2)cc1
InChIInChI=1S/C17H26N2O/c1-20-17-9-7-14(8-10-17)13-19(16-11-18-12-16)15-5-3-2-4-6-15/h7-10,15-16,18H,2-6,11-13H2,1H3
InChIKeySQVUZPLWEGVUPJ-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134
N-[2-(4-methoxyphenyl)ethyl]-N-methylazetidin-3-amine
CID 66187359
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 170567610
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120966581
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine?
The IUPAC name of N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine (CID 142720743) is N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine?
The canonical SMILES for N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine is COc1ccc(CN(C2CCCCC2)C2CNC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine?
The InChIKey is SQVUZPLWEGVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-17-9-7-14(8-10-17)13-19(16-11-18-12-16)15-5-3-2-4-6-15/h7-10,15-16,18H,2-6,11-13H2,1H3.
What are the key properties of N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine?
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 142720743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).