[[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate

C15H22N2O2 — CID 174784509

IUPAC[[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate
SMILESNCC1CCC(NOC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-11-13-6-8-14(9-7-13)17-19-15(18)10-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2
InChIKeyIPUZIZRXGPTBOU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.79
Rot. Bonds5

About [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate

[[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate (PubChem CID 174784509) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate.

Molecular Properties

Compound Name[[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate
PubChem CID174784509
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate
SMILESNCC1CCC(NOC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-11-13-6-8-14(9-7-13)17-19-15(18)10-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2
InChIKeyIPUZIZRXGPTBOU-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-phenylacetamide
CID 5175687
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
cyclopropyl 2-phenylacetate
CID 135066962
azane;(benzylamino) 2-phenylacetate
CID 174695749
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino] 2-phenylacetate
CID 131864914
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
CID 172801156
CID 172801156
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975

Frequently Asked Questions

What is the IUPAC name of [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate?
The IUPAC name of [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate (CID 174784509) is [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate.
What is the SMILES notation for [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate?
The canonical SMILES for [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate is NCC1CCC(NOC(=O)Cc2ccccc2)CC1.
What is the InChIKey of [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate?
The InChIKey is IPUZIZRXGPTBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-13-6-8-14(9-7-13)17-19-15(18)10-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2.
What are the key properties of [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate?
[[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate has a molecular weight of 262.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate is sourced from PubChem (CID 174784509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).