N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine

C16H26N2O — CID 115208003

IUPACN-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)CNCC2CNC2)cc1
InChIInChI=1S/C16H26N2O/c1-4-19-15-7-5-14(6-8-15)16(2,3)12-18-11-13-9-17-10-13/h5-8,13,17-18H,4,9-12H2,1-3H3
InChIKeyYJLZKLGVHDZDPG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.17
Rot. Bonds7

About N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine

N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine (PubChem CID 115208003) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
PubChem CID115208003
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)CNCC2CNC2)cc1
InChIInChI=1S/C16H26N2O/c1-4-19-15-7-5-14(6-8-15)16(2,3)12-18-11-13-9-17-10-13/h5-8,13,17-18H,4,9-12H2,1-3H3
InChIKeyYJLZKLGVHDZDPG-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
N-(2-chloroethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115215295
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine
CID 115208013
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine (CID 115208003) is N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine is CCOc1ccc(C(C)(C)CNCC2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is YJLZKLGVHDZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-15-7-5-14(6-8-15)16(2,3)12-18-11-13-9-17-10-13/h5-8,13,17-18H,4,9-12H2,1-3H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine?
N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115208003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).