1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol

C17H25NO2 — CID 79125916

IUPAC1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(C2(CN)CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO2/c1-2-13-7-8-17(19,11-13)16(12-18)9-10-20-15-6-4-3-5-14(15)16/h3-6,13,19H,2,7-12,18H2,1H3
InChIKeyKGFABMQQZFMUPE-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.61
Rot. Bonds3

About 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol (PubChem CID 79125916) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol
PubChem CID79125916
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(C2(CN)CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO2/c1-2-13-7-8-17(19,11-13)16(12-18)9-10-20-15-6-4-3-5-14(15)16/h3-6,13,19H,2,7-12,18H2,1H3
InChIKeyKGFABMQQZFMUPE-UHFFFAOYSA-N
XLogP2.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol
CID 103565551
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol
CID 106874848
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol
CID 79127580
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
CID 104769259
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]propan-1-ol
CID 79138768
[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 65407110
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125705
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-methylbutan-1-ol
CID 79137627
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol
CID 79127521

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol (CID 79125916) is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol is CCC1CCC(O)(C2(CN)CCOc3ccccc32)C1.
What is the InChIKey of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol?
The InChIKey is KGFABMQQZFMUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-13-7-8-17(19,11-13)16(12-18)9-10-20-15-6-4-3-5-14(15)16/h3-6,13,19H,2,7-12,18H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol?
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 79125916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).