[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H22N2O2 — CID 107403497

IUPAC[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(19)7-2-9-17(10-8-15)14(18)13-5-3-12(11-16)4-6-13/h3-6,19H,2,7-11,16H2,1H3
InChIKeySADOTLDWKPNFBT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107403497) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107403497
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(19)7-2-9-17(10-8-15)14(18)13-5-3-12(11-16)4-6-13/h3-6,19H,2,7-11,16H2,1H3
InChIKeySADOTLDWKPNFBT-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
[4-(3-aminoprop-1-ynyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107407258
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
(3-amino-4-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403478
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
[3-(3-aminoprop-1-ynyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107407255
4-[2-(4-hydroxy-4-methylazepan-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 107404602
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
(3-chloro-4-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404892

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107403497) is [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is SADOTLDWKPNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(19)7-2-9-17(10-8-15)14(18)13-5-3-12(11-16)4-6-13/h3-6,19H,2,7-11,16H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107403497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).