[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride

C14H21ClN2O2 — CID 119316814

IUPAC[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(CN)cc2)CCCO1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-10-16(7-2-8-18-11)14(17)13-5-3-12(9-15)4-6-13;/h3-6,11H,2,7-10,15H2,1H3;1H
InChIKeyVZOSKBXIWPRGPU-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.82
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride (PubChem CID 119316814) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
PubChem CID119316814
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(CN)cc2)CCCO1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-10-16(7-2-8-18-11)14(17)13-5-3-12(9-15)4-6-13;/h3-6,11H,2,7-10,15H2,1H3;1H
InChIKeyVZOSKBXIWPRGPU-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenoxy]-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62988279
[4-(aminomethyl)phenyl]-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119304821
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129366969
[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanamine
CID 62987895
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride (CID 119316814) is [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccc(CN)cc2)CCCO1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The InChIKey is VZOSKBXIWPRGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-11-10-16(7-2-8-18-11)14(17)13-5-3-12(9-15)4-6-13;/h3-6,11H,2,7-10,15H2,1H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119316814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).