2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde

C15H22N2O2 — CID 89019369

IUPAC2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde
SMILESNC1CCC(CNc2cccc(OCC=O)c2)CC1
InChIInChI=1S/C15H22N2O2/c16-13-6-4-12(5-7-13)11-17-14-2-1-3-15(10-14)19-9-8-18/h1-3,8,10,12-13,17H,4-7,9,11,16H2
InChIKeyNZLVKRCYZOOTFI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.19
Rot. Bonds6

About 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde

2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde (PubChem CID 89019369) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde
PubChem CID89019369
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde
SMILESNC1CCC(CNc2cccc(OCC=O)c2)CC1
InChIInChI=1S/C15H22N2O2/c16-13-6-4-12(5-7-13)11-17-14-2-1-3-15(10-14)19-9-8-18/h1-3,8,10,12-13,17H,4-7,9,11,16H2
InChIKeyNZLVKRCYZOOTFI-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate
CID 59230168
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline
CID 59231322
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine
CID 59230547
2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62658835
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde?
The IUPAC name of 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde (CID 89019369) is 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde.
What is the SMILES notation for 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde?
The canonical SMILES for 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde is NC1CCC(CNc2cccc(OCC=O)c2)CC1.
What is the InChIKey of 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde?
The InChIKey is NZLVKRCYZOOTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13-6-4-12(5-7-13)11-17-14-2-1-3-15(10-14)19-9-8-18/h1-3,8,10,12-13,17H,4-7,9,11,16H2.
What are the key properties of 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde?
2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde has a molecular weight of 262.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde is sourced from PubChem (CID 89019369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).