[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone

C17H25NO2 — CID 116600547

IUPAC[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(2)20-15-9-5-4-8-14(15)16(19)17(12-18)10-6-3-7-11-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3
InChIKeyLWIXIVOZEQKBJE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.57
Rot. Bonds5

About [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone

[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone (PubChem CID 116600547) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone
PubChem CID116600547
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(2)20-15-9-5-4-8-14(15)16(19)17(12-18)10-6-3-7-11-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3
InChIKeyLWIXIVOZEQKBJE-UHFFFAOYSA-N
XLogP3.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
CID 116568498
(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
CID 104610131
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120804729
[1-(aminomethyl)cyclopropyl]-(2-hydroxyphenyl)methanone
CID 105444935
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
propyl 2-propan-2-yloxybenzoate
CID 82186328
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone (CID 116600547) is [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)C1(CN)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is LWIXIVOZEQKBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)20-15-9-5-4-8-14(15)16(19)17(12-18)10-6-3-7-11-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone?
[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116600547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).